In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 13 | 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) | 0.66 | 4.97 | -35.97 | 1 | 3 | 1 | 31 | 186.275 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.66 | 2.7 | -5.47 | 0 | 3 | 0 | 30 | 185.267 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.