In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | Yes |
None
None
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) | 6.20 | 8.94 | -8.51 | 0 | 5 | 0 | 52 | 459.464 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.20 | 11.92 | -45.83 | 1 | 5 | 1 | 53 | 460.472 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.