In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 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) | 3.68 | 8.14 | -35.47 | 2 | 2 | 1 | 26 | 271.29 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.68 | 7.71 | -10.02 | 1 | 2 | 0 | 25 | 270.282 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.