| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 22 | Yes |
Popular Name: (1S)-2-(4-cyclopropyl-1,4-diazepan-1-yl)-1-(4-isopropylphenyl)ethanol (1S)-2-(4-cyclopropyl-1,4-diazep…
| 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) | 3.20 | 7.76 | -35.08 | 2 | 3 | 1 | 28 | 303.47 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 7.64 | -30.95 | 2 | 3 | 1 | 28 | 303.47 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.20 | 9.82 | -109.69 | 3 | 3 | 2 | 29 | 304.478 | 5 | ↓ |
