| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 21 | Yes |
Popular Name: (2R)-N-(3-amino-2-methyl-phenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide (2R)-N-(3-amino-2-methyl-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) | 1.47 | 6.64 | -113.1 | 5 | 5 | 2 | 64 | 292.427 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 4.76 | -42.49 | 4 | 5 | 1 | 63 | 291.419 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 2.71 | -11.76 | 3 | 5 | 0 | 62 | 290.411 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 4.62 | -38.61 | 4 | 5 | 1 | 63 | 291.419 | 3 | ↓ |
