In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 33 | 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) | 5.72 | 13.67 | -13.58 | 1 | 4 | 0 | 42 | 442.603 | 8 | ↓ |
Lo Low (pH 4.5-6) | 5.72 | 15.49 | -43.54 | 2 | 4 | 1 | 43 | 443.611 | 8 | ↓ |