| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 26 | Yes |
Popular Name: 1-(1,4-diazepan-1-yl)-3-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one 1-(1,4-diazepan-1-yl)-3-[(4S)-4-…
| 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) | 2.58 | 11.28 | -99.57 | 3 | 4 | 2 | 41 | 371.55 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 8.14 | -10.02 | 1 | 4 | 0 | 36 | 369.534 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 9.5 | -47.8 | 2 | 4 | 1 | 40 | 370.542 | 4 | ↓ |
