| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 28th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-2-(1,4-diazepane-1-carbonyl)cyclohexanecarboxylic (1R,2S)-2-(1,4-diazepane-1-carbo…
| 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) | 0.63 | 6.45 | -76.16 | 2 | 5 | 0 | 77 | 254.33 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.63 | 5.08 | -62.03 | 1 | 5 | -1 | 72 | 253.322 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.63 | 4.62 | -44.89 | 3 | 5 | 1 | 74 | 255.338 | 2 | ↓ |
