In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 21 | No |
None
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) | 0.57 | 2.94 | -29.92 | 4 | 7 | 1 | 98 | 294.379 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.57 | 2.82 | -9.75 | 3 | 7 | 0 | 97 | 293.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.