In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 25 | Yes |
Popular Name: 1-[(3,5-dimethylphenyl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazine 1-[(3,5-dimethylphenyl)methyl]-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) | 3.51 | 7.04 | -9.27 | 0 | 4 | 0 | 41 | 362.47 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.51 | 9.28 | -48.4 | 1 | 4 | 1 | 42 | 363.478 | 4 | ↓ |