| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 16 | Yes |
Popular Name: (2R)-2-(1,4-diazepan-1-yl)-1-pyrrolidin-1-yl-propan-1-one (2R)-2-(1,4-diazepan-1-yl)-1-pyr…
| 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) | -0.01 | 2.98 | -36.11 | 2 | 4 | 1 | 40 | 226.344 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 3.44 | -33.53 | 2 | 4 | 1 | 37 | 226.344 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.01 | 4.9 | -104.43 | 3 | 4 | 2 | 41 | 227.352 | 2 | ↓ |
