In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 38 | Yes |
Popular Name: 4-(1-adamantyl)-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-(isopentylamino)-2-oxo-ethyl]benzamide 4-(1-adamantyl)-N-[(1R)-1-(1H-in…
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) | 6.74 | 14.24 | -21.61 | 3 | 5 | 0 | 74 | 511.71 | 9 | ↓ |
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) | 7.09 | 15.96 | -10.95 | 2 | 5 | 0 | 65 | 513.726 | 9 | ↓ |
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) | 7.09 | 16 | -9.57 | 2 | 5 | 0 | 65 | 513.726 | 9 | ↓ |