In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 30 | 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) | 2.34 | 8.47 | -15.9 | 1 | 8 | 0 | 91 | 427.53 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.34 | 8.95 | -47.45 | 2 | 8 | 1 | 92 | 428.538 | 11 | ↓ |