In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 30 | No |
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) | 6.64 | 13.59 | -12.6 | 1 | 5 | 0 | 83 | 460.338 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.64 | 14.58 | -49.84 | 0 | 5 | -1 | 86 | 459.33 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.