| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2009 | 19 | Yes |
Popular Name: 1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-(4-methyl-1,4-diazepan-1-yl…
| 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) | 0.82 | 9.29 | -69.64 | 1 | 5 | 0 | 65 | 268.357 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.82 | 7.2 | -59.02 | 0 | 5 | -1 | 64 | 267.349 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.82 | 6.82 | -47.07 | 2 | 5 | 1 | 62 | 269.365 | 3 | ↓ |
