In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 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) | 1.11 | 3.08 | -10.06 | 1 | 6 | 0 | 67 | 324.431 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 5.81 | -47.98 | 2 | 6 | 1 | 68 | 325.439 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.