| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine (1S,2R)-1-(4-fluorophenyl)-1-(4-…
| 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 | 7.12 | -100.51 | 4 | 3 | 2 | 35 | 281.419 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 6.13 | -32.29 | 3 | 3 | 1 | 34 | 280.411 | 4 | ↓ |
