In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 37 | 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) | 5.01 | 8.04 | -17.24 | 1 | 8 | 0 | 82 | 525.671 | 14 | ↓ |
Lo Low (pH 4.5-6) | 5.01 | 10.23 | -59.39 | 2 | 8 | 1 | 83 | 526.679 | 14 | ↓ |