In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 24 | 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) | 2.27 | 11.45 | -33.38 | 1 | 6 | 1 | 70 | 323.424 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 11.15 | -10.17 | 0 | 6 | 0 | 69 | 322.416 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.