In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2005 | 21 | Yes |
Popular Name: 2-[(3-cyano-4-isobutyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide 2-[(3-cyano-4-isobutyl-5,6,7,8-t…
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) | 2.70 | -1.31 | -13.31 | 2 | 4 | 0 | 79 | 303.431 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.70 | -1.2 | -43.95 | 3 | 4 | 1 | 81 | 304.439 | 5 | ↓ |