In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2009 | 30 | 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) | 3.82 | 13.52 | -19.15 | 1 | 6 | 0 | 67 | 410.424 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.82 | 13.96 | -45.22 | 2 | 6 | 1 | 68 | 411.432 | 4 | ↓ |