| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 21 | Yes |
Popular Name: (2S)-N-(2-amino-5-chloro-phenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide (2S)-N-(2-amino-5-chloro-phenyl)…
| 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) | 1.73 | 6.26 | -116.68 | 5 | 5 | 2 | 64 | 312.845 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 4.46 | -47.15 | 4 | 5 | 1 | 63 | 311.837 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 2.02 | -14.39 | 3 | 5 | 0 | 62 | 310.829 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 3.81 | -43.49 | 4 | 5 | 1 | 63 | 311.837 | 3 | ↓ |
