In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 35 | 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) | 4.78 | 11.27 | -20.14 | 2 | 6 | 0 | 76 | 490.003 | 11 | ↓ |
Lo Low (pH 4.5-6) | 4.78 | 11.67 | -43.45 | 3 | 6 | 1 | 78 | 491.011 | 11 | ↓ |