In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 21st, 2014 | 25 | No |
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) | -4.59 | -6.87 | -207.32 | 5 | 13 | -3 | 232 | 386.226 | 7 | ↓ |
Mid Mid (pH 6-8) | -4.59 | -8.02 | -103.11 | 6 | 13 | -2 | 229 | 387.234 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.