In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 28 | 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) | 5.44 | 12.11 | -14.94 | 0 | 4 | 0 | 36 | 397.588 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.44 | 13.07 | -25.78 | 1 | 4 | 1 | 38 | 398.596 | 5 | ↓ |