In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2008 | 30 | No |
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) | 4.12 | 11.59 | -19.63 | 1 | 5 | 0 | 66 | 464.056 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.58 | 10.54 | -39.54 | 0 | 5 | -1 | 69 | 463.048 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.