In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 29 | 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) | 4.62 | 10.46 | -10.1 | 0 | 5 | 0 | 47 | 429.611 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.62 | 12.6 | -39.75 | 1 | 5 | 1 | 49 | 430.619 | 6 | ↓ |