| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2010 | 17 | Yes |
Popular Name: (5S)-5-methyl-1-[(1R,2R)-2-phenylcyclopropyl]-1,4-diazepane (5S)-5-methyl-1-[(1R,2R)-2-pheny…
| 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) | 2.29 | 6.61 | -31.99 | 2 | 2 | 1 | 20 | 231.363 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 5.36 | -1.38 | 1 | 2 | 0 | 15 | 230.355 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 7.1 | -29.58 | 2 | 2 | 1 | 16 | 231.363 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.29 | 8.3 | -99.85 | 3 | 2 | 2 | 21 | 232.371 | 2 | ↓ |
