In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 7th, 2008 | 35 | 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) | 3.88 | 9.66 | -28.09 | 2 | 7 | 0 | 93 | 491.975 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.88 | 9.99 | -50.73 | 3 | 7 | 1 | 95 | 492.983 | 10 | ↓ |