In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 24 | Yes |
Popular Name: 3-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]propan-1-amine 3-[4-[(3-phenoxyphenyl)methyl]pi…
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) | 2.44 | 7.31 | -109.23 | 4 | 4 | 2 | 45 | 327.472 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 4.93 | -47.46 | 3 | 4 | 1 | 43 | 326.464 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 7.31 | -98.29 | 4 | 4 | 2 | 45 | 327.472 | 7 | ↓ |