In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 18th, 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) | 6.27 | 12.19 | -8.03 | 0 | 3 | 0 | 29 | 319.452 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.27 | 12.51 | -24.87 | 1 | 3 | 1 | 30 | 320.46 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.