In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2009 | 31 | 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) | 0.98 | 10.71 | -100.42 | 2 | 6 | 0 | 82 | 427.451 | 3 | ↓ |
Lo Low (pH 4.5-6) | -1.76 | 9.62 | -92.03 | 3 | 6 | 1 | 85 | 428.459 | 2 | ↓ |