In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 17 | Yes |
Popular Name: (2S)-2-(1,4-diazepan-1-yl)-N-(1-ethylpropyl)propanamide (2S)-2-(1,4-diazepan-1-yl)-N-(1-…
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) | 1.09 | 3.44 | -31.9 | 3 | 4 | 1 | 46 | 242.387 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.09 | 4.74 | -110.21 | 4 | 4 | 2 | 50 | 243.395 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.09 | 2.84 | -39.07 | 3 | 4 | 1 | 49 | 242.387 | 5 | ↓ |