| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 19 | Yes |
Popular Name: (2S)-2-(3,5-dimethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine (2S)-2-(3,5-dimethylphenyl)-2-(4…
| 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) | 1.72 | 6.42 | -113.01 | 4 | 3 | 2 | 35 | 263.429 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 6.32 | -27.89 | 3 | 3 | 1 | 34 | 262.421 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 5.26 | -42.08 | 3 | 3 | 1 | 34 | 262.421 | 3 | ↓ |
