In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2010 | 38 | Yes |
None
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) | 8.34 | 20.88 | -8.91 | 3 | 7 | 0 | 84 | 510.548 | 9 | ↓ |
Lo Low (pH 4.5-6) | 8.34 | 21.38 | -38.1 | 4 | 7 | 1 | 85 | 511.556 | 9 | ↓ |