In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 38 | No |
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) | 6.48 | 13.6 | -59.7 | 0 | 7 | -1 | 88 | 520.646 | 15 | ↓ |
Lo Low (pH 4.5-6) | 6.48 | 12.85 | -15.55 | 1 | 7 | 0 | 85 | 521.654 | 15 | ↓ |