In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 24 | 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) | 2.10 | -1.68 | -16.67 | 1 | 9 | 0 | 97 | 324.348 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.10 | -1.49 | -39 | 2 | 9 | 1 | 99 | 325.356 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.