In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 16th, 2013 | 32 | No |
None
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) | 3.80 | 7.27 | -14.46 | 1 | 8 | 0 | 89 | 477.97 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.13 | 8.15 | -30.5 | 2 | 8 | 1 | 89 | 478.978 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.