In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 12th, 2011 | 26 | 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) | 4.42 | 9.59 | -5.08 | 1 | 2 | 0 | 33 | 349.518 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.42 | 9.96 | -33.57 | 2 | 2 | 1 | 34 | 350.526 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.