In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 25 | 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) | 2.20 | 10.94 | -35.75 | 1 | 6 | 1 | 53 | 339.467 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.20 | 13.45 | -95.64 | 2 | 6 | 2 | 54 | 340.475 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.