In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 19 | 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) | 3.25 | 6.58 | -50.78 | 3 | 3 | 1 | 54 | 251.309 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.25 | 6.19 | -8 | 2 | 3 | 0 | 52 | 250.301 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.