In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 32 | 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) | -4.04 | -1.94 | -358.97 | 4 | 18 | -4 | 290 | 517.177 | 8 | ↓ |
Mid Mid (pH 6-8) | -4.04 | -3.1 | -222.33 | 5 | 18 | -3 | 288 | 518.185 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.