| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-(3-methyl-2-thienyl)propan-2-amine (1S,2S)-1-(4-methyl-1,4-diazepan…
| 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) | 1.57 | 5.62 | -93.57 | 4 | 3 | 2 | 35 | 269.458 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 4.84 | -107.42 | 4 | 3 | 2 | 35 | 269.458 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 1.89 | -2.77 | 2 | 3 | 0 | 32 | 267.442 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 4.91 | -30.06 | 3 | 3 | 1 | 34 | 268.45 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 2.22 | -42.67 | 3 | 3 | 1 | 34 | 268.45 | 3 | ↓ |
