In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2011 | 17 | 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) | 2.48 | 8.53 | -32.87 | 1 | 2 | 1 | 14 | 232.347 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 6.43 | -3.54 | 0 | 2 | 0 | 12 | 231.339 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.