In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 20 | Yes |
None
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) | 3.09 | 6.17 | -9.51 | 3 | 4 | 0 | 68 | 266.348 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 6.09 | -33.81 | 4 | 4 | 1 | 69 | 267.356 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.