In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 29 | No |
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) | 1.73 | 8.26 | -61.59 | 2 | 7 | 0 | 94 | 397.475 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 7.5 | -44.81 | 3 | 7 | 1 | 91 | 398.483 | 6 | ↓ |