In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 16 | 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) | 0.58 | 4.3 | -45.52 | 1 | 5 | -1 | 78 | 230.284 | 9 | ↓ |
Lo Low (pH 4.5-6) | 0.58 | 2.32 | -8.62 | 2 | 5 | 0 | 76 | 231.292 | 9 | ↓ |