| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: 3-(isopropylamino)-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one 3-(isopropylamino)-1-[4-(2-thien…
| 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) | 1.85 | 8.88 | -95.18 | 3 | 4 | 2 | 41 | 311.495 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 6.99 | -44.38 | 2 | 4 | 1 | 40 | 310.487 | 6 | ↓ |
