In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 34 | No |
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) | 4.46 | 12.95 | -39.86 | 1 | 9 | 1 | 96 | 471.578 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.46 | 11.85 | -20.6 | 0 | 9 | 0 | 95 | 470.57 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.46 | 13.6 | -86.88 | 2 | 9 | 2 | 97 | 472.586 | 8 | ↓ |