In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2006 | 20 | 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) | 1.30 | 4.71 | -15.05 | 1 | 5 | 0 | 60 | 272.304 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.30 | 4.99 | -47.87 | 2 | 5 | 1 | 62 | 273.312 | 6 | ↓ |