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) | 1.78 | 6.19 | -13.06 | 1 | 7 | 0 | 65 | 414.55 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.78 | 8.45 | -46.76 | 2 | 7 | 1 | 66 | 415.558 | 5 | ↓ |