In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 32 | Yes |
Popular Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4-methyl-1,1-dioxo-5-(p-tolyl)isothiazol-3-amine N-[3-(4-benzylpiperazin-1-yl)pro…
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) | 3.69 | 8.99 | -67.58 | 2 | 6 | 1 | 66 | 453.632 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.69 | 8.95 | -61.07 | 2 | 6 | 1 | 66 | 453.632 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.69 | 6.61 | -23.66 | 1 | 6 | 0 | 65 | 452.624 | 8 | ↓ |