In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 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) | 1.83 | 6.22 | -11.39 | 4 | 5 | 0 | 79 | 254.293 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 6.21 | -30.52 | 5 | 5 | 1 | 80 | 255.301 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.