| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine (1S,2R)-1-(4-bromo-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) | 1.93 | 5.21 | -100.78 | 4 | 3 | 2 | 35 | 334.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 5.11 | -114.43 | 4 | 3 | 2 | 35 | 334.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 3.26 | -1.63 | 2 | 3 | 0 | 32 | 332.311 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 4.88 | -34.55 | 3 | 3 | 1 | 34 | 333.319 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 3.57 | -42.68 | 3 | 3 | 1 | 34 | 333.319 | 3 | ↓ |
