In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 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) | 1.03 | 6.75 | -24.51 | 1 | 7 | 0 | 79 | 338.346 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.03 | 7.53 | -39.96 | 2 | 7 | 1 | 80 | 339.354 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.