In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 34 | 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) | 3.47 | 10.34 | -47.15 | 3 | 8 | 1 | 88 | 492.04 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.47 | 10.68 | -105.98 | 4 | 8 | 2 | 90 | 493.048 | 11 | ↓ |