In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 19 | 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) | 1.98 | 6.59 | -13.08 | 0 | 4 | 0 | 52 | 272.691 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.98 | 7.05 | -40.1 | 1 | 4 | 1 | 53 | 273.699 | 2 | ↓ |