| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-1-(5-chloro-2-thienyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine (1R,2S)-1-(5-chloro-2-thienyl)-1…
| 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) | 1.99 | 4.97 | -104.19 | 4 | 3 | 2 | 35 | 289.876 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 4.87 | -117.58 | 4 | 3 | 2 | 35 | 289.876 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 3.14 | -2.44 | 2 | 3 | 0 | 32 | 287.86 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 4.61 | -35.22 | 3 | 3 | 1 | 34 | 288.868 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 3.43 | -45.83 | 3 | 3 | 1 | 34 | 288.868 | 3 | ↓ |
