In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 31 | 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) | 3.67 | 9.61 | -14.29 | 2 | 9 | 0 | 103 | 485.342 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.84 | 9.77 | -38.87 | 3 | 9 | 1 | 108 | 486.35 | 5 | ↓ |