In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 20 | 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) | 2.10 | 7.39 | -55.89 | 2 | 5 | 1 | 60 | 292.432 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.10 | 6.03 | -8.37 | 1 | 5 | 0 | 56 | 291.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.