In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2007 | 31 | 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) | 4.33 | -0.83 | -16.85 | 0 | 6 | 0 | 64 | 451.935 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.33 | -0.71 | -53.72 | 1 | 6 | 1 | 65 | 452.943 | 4 | ↓ |