| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pentan-1-amine (3S)-3-[4-[(4-fluorophenyl)methy…
| 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) | 1.74 | 5.53 | -115.53 | 4 | 3 | 2 | 35 | 281.419 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 3.32 | -2.66 | 2 | 3 | 0 | 32 | 279.403 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 5.95 | -101.24 | 4 | 3 | 2 | 35 | 281.419 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 3.7 | -43.92 | 3 | 3 | 1 | 34 | 280.411 | 6 | ↓ |
