In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2007 | 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) | 5.20 | 9.35 | -13.14 | 4 | 7 | 0 | 110 | 488.613 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.20 | 9.74 | -39.88 | 5 | 7 | 1 | 111 | 489.621 | 5 | ↓ |