In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 32 | 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) | 3.96 | 12.69 | -20.17 | 1 | 8 | 0 | 86 | 432.48 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.96 | 13.14 | -45.36 | 2 | 8 | 1 | 87 | 433.488 | 4 | ↓ |