In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 26 | Yes |
Popular Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide N-(1,3-benzothiazol-2-yl)-2-[(3-…
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) | 4.10 | 9.59 | -17.35 | 1 | 5 | 0 | 79 | 380.498 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.28 | 8.52 | -47.87 | 0 | 5 | -1 | 85 | 379.49 | 4 | ↓ |