In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 29 | Yes |
Popular Name: 4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide 4-[4-[(3-chlorophenyl)methyl]pip…
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) | 2.08 | 5.58 | -15.53 | 1 | 6 | 0 | 70 | 431.945 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 7.9 | -60.99 | 2 | 6 | 1 | 71 | 432.953 | 6 | ↓ |