In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 37 | 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) | 4.68 | 12.7 | -59.05 | 0 | 8 | -1 | 100 | 507.551 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.68 | 12.22 | -24.38 | 1 | 8 | 0 | 97 | 508.559 | 6 | ↓ |