In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 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) | 0.26 | 6.04 | -82.86 | 3 | 5 | 2 | 48 | 280.416 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.26 | 5.56 | -49.19 | 2 | 5 | 1 | 47 | 279.408 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.