In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 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) | 2.00 | 8.88 | -62.68 | 0 | 10 | -1 | 118 | 513.53 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 8.12 | -20.65 | 1 | 10 | 0 | 116 | 514.538 | 8 | ↓ |