| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 18 | Yes |
Popular Name: (1S)-1-(2-chloro-6-fluoro-phenyl)-N-isopropyl-N-propyl-ethane-1,2-diamine (1S)-1-(2-chloro-6-fluoro-phenyl…
| 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) | 3.03 | 5.82 | -38.99 | 3 | 2 | 1 | 31 | 273.803 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 6.17 | -109.5 | 4 | 2 | 2 | 32 | 274.811 | 6 | ↓ |
Popular Name: 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine 2-(2-chloro-6-fluorophenyl)-2-py…
| 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) | 1.88 | 3.12 | -35.94 | 3 | 2 | 1 | 31 | 243.733 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 6.11 | -23.7 | 3 | 2 | 1 | 30 | 243.733 | 3 | ↓ |
Popular Name: 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethanamine 2-(2-chloro-6-fluorophenyl)-2-py…
| 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) | 1.88 | 2.85 | -38.65 | 3 | 2 | 1 | 31 | 243.733 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 6.18 | -22.78 | 3 | 2 | 1 | 30 | 243.733 | 3 | ↓ |
