In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 27th, 2008 | 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) | 3.86 | 12.46 | -14.14 | 0 | 5 | 0 | 47 | 431.561 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.86 | 12.85 | -31.02 | 1 | 5 | 1 | 49 | 432.569 | 7 | ↓ |