In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 19 | 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) | 1.95 | 3.64 | -12.39 | 2 | 5 | 0 | 75 | 273.317 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 3.68 | -48.7 | 1 | 5 | -1 | 77 | 272.309 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.