In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2014 | 10 | 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) | 0.94 | 0.35 | -27.56 | 5 | 3 | 1 | 66 | 203.063 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.94 | -0.06 | -4.84 | 4 | 3 | 0 | 65 | 202.055 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.