| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-1-(4-bromo-2-thienyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine (1R,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 | 5.52 | -95.03 | 4 | 3 | 2 | 35 | 334.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 5.38 | -117.76 | 4 | 3 | 2 | 35 | 334.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 2.99 | -2.23 | 2 | 3 | 0 | 32 | 332.311 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 5.22 | -35.42 | 3 | 3 | 1 | 34 | 333.319 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 3.29 | -42.27 | 3 | 3 | 1 | 34 | 333.319 | 3 | ↓ |
