In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 21 | 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) | 1.22 | 6.87 | -9.17 | 0 | 7 | 0 | 71 | 286.291 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 7.73 | -41.69 | 1 | 7 | 1 | 73 | 287.299 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.