In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 30 | 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) | 4.45 | 7.44 | -198.8 | 1 | 9 | -3 | 157 | 485.251 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.45 | 7.86 | -123.74 | 2 | 9 | -2 | 155 | 486.259 | 4 | ↓ |