In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 36 | 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) | 2.70 | 7.41 | -53.81 | 3 | 7 | 1 | 78 | 497.704 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.70 | 9.67 | -110.12 | 4 | 7 | 2 | 80 | 498.712 | 6 | ↓ |