In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 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) | 3.73 | 7.1 | -55.64 | 1 | 6 | -1 | 90 | 514.179 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.73 | 6.35 | -15.6 | 2 | 6 | 0 | 87 | 515.187 | 8 | ↓ |