| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 19 | Yes |
Popular Name: (2S,3aS,7aS)-N-[4-(dimethylamino)butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-[4-(dimethylamino…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.56 | 6.19 | -83.24 | 4 | 4 | 2 | 50 | 269.433 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 4.92 | -41.38 | 3 | 4 | 1 | 46 | 268.425 | 6 | ↓ |
Popular Name: (4aR,4bS,8aS,9aS)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydropyrido[3,4-b]indol-1-one (4aR,4bS,8aS,9aS)-2,3,4,4a,4b,5,…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.33 | 2.33 | -36.23 | 3 | 3 | 1 | 46 | 195.286 | 0 | ↓ |
Popular Name: (4aS,4bS,8aS,9aS)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydropyrido[3,4-b]indol-1-one (4aS,4bS,8aS,9aS)-2,3,4,4a,4b,5,…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.33 | 2.36 | -36.24 | 3 | 3 | 1 | 46 | 195.286 | 0 | ↓ |
Popular Name: (4aR,4bR,8aS,9aS)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydropyrido[3,4-b]indol-1-one (4aR,4bR,8aS,9aS)-2,3,4,4a,4b,5,…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.33 | 2.35 | -35.33 | 3 | 3 | 1 | 46 | 195.286 | 0 | ↓ |
Popular Name: (4aS,4bR,8aS,9aS)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydropyrido[3,4-b]indol-1-one (4aS,4bR,8aS,9aS)-2,3,4,4a,4b,5,…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.33 | 2.33 | -35.44 | 3 | 3 | 1 | 46 | 195.286 | 0 | ↓ |
