In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 38 | 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) | 5.06 | 12.46 | -57.35 | 0 | 8 | -1 | 101 | 518.586 | 13 | ↓ |
Lo Low (pH 4.5-6) | 5.06 | 11.17 | -21.48 | 1 | 8 | 0 | 98 | 519.594 | 13 | ↓ |