In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2005 | 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) | 5.65 | 12.69 | -41.49 | 1 | 5 | 1 | 53 | 429.54 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.65 | 13.12 | -89.71 | 2 | 5 | 2 | 54 | 430.548 | 7 | ↓ |