| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-1-(4-bromophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine (1S,2R)-1-(4-bromophenyl)-1-(4-m…
| 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) | 2.10 | 6.74 | -98.81 | 4 | 3 | 2 | 35 | 328.298 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 6.28 | -125.09 | 4 | 3 | 2 | 35 | 328.298 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 4.1 | -44.52 | 3 | 3 | 1 | 34 | 327.29 | 3 | ↓ |
