| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2010 | 19 | Yes |
Popular Name: (2S)-2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-propan-1-amine (2S)-2-methyl-3-(4-methyl-1,4-di…
| 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) | 1.53 | 6.46 | -91.32 | 4 | 3 | 2 | 35 | 263.429 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 4.29 | -44.34 | 3 | 3 | 1 | 34 | 262.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 5.42 | -113.83 | 4 | 3 | 2 | 35 | 263.429 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 7.57 | -106.97 | 4 | 3 | 2 | 35 | 263.429 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 7.7 | -215 | 5 | 3 | 3 | 37 | 264.437 | 4 | ↓ |
