In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 34 | Yes |
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) | 3.87 | 12.15 | -30.53 | 0 | 6 | 0 | 80 | 514.072 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.87 | 13.2 | -45.71 | 1 | 6 | 1 | 81 | 515.08 | 8 | ↓ |