In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 13th, 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) | 2.50 | 11.69 | -13.3 | 0 | 6 | 0 | 64 | 403.53 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.50 | 11.75 | -43.16 | 1 | 6 | 1 | 65 | 404.538 | 6 | ↓ |