In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 30 | Yes |
Popular Name: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-methyl-1,1-dioxo-5-phenyl-isothiazol-3-amine N-[3-(4-cyclohexylpiperazin-1-yl…
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) | 3.75 | 7.75 | -56.42 | 2 | 6 | 1 | 66 | 431.626 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 5.47 | -20.43 | 1 | 6 | 0 | 65 | 430.618 | 7 | ↓ |