In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 17 | 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) | 0.64 | 4.77 | -11.27 | 4 | 5 | 0 | 83 | 225.255 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.64 | 5.19 | -38.43 | 5 | 5 | 1 | 84 | 226.263 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.