In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 39 | 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) | 2.95 | 12.46 | -43.45 | 3 | 8 | 0 | 108 | 531.653 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.95 | 10.32 | -54.93 | 2 | 8 | -1 | 107 | 530.645 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.