In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2008 | 31 | 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) | 4.78 | 9.14 | -10.72 | 2 | 4 | 0 | 62 | 419.475 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.78 | 9.59 | -52.11 | 3 | 4 | 1 | 64 | 420.483 | 3 | ↓ |