| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2006 | 21 | Yes |
Popular Name: 3-(1-azepan-1-ylethyl)-7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one 3-(1-azepan-1-ylethyl)-7,8-dimet…
| 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) | 3.22 | -0.96 | -43.46 | 2 | 4 | 1 | 50 | 306.455 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.40 | 11.04 | -7.71 | 0 | 3 | 0 | 17 | 350.437 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.40 | 12.69 | -28.47 | 1 | 3 | 1 | 19 | 351.445 | 4 | ↓ |
