In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 1st, 2011 | 34 | Yes |
Popular Name: N-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[3-[4-(2,3-dimethylphenyl)pipe…
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) | 4.83 | 12.45 | -15.99 | 1 | 6 | 0 | 66 | 470.598 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.83 | 12.27 | -46.64 | 2 | 6 | 1 | 67 | 471.606 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.