In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 16th, 2011 | 16 | 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) | 2.60 | 3.97 | -8.89 | 0 | 4 | 0 | 52 | 231.642 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 4.54 | -30.3 | 1 | 4 | 1 | 53 | 232.65 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.