In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 21 | 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) | 2.61 | 8.98 | -13.24 | 1 | 5 | 0 | 60 | 280.331 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 9.53 | -40.07 | 2 | 5 | 1 | 61 | 281.339 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.