In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 18 | 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) | 2.92 | 6.98 | -43.06 | 3 | 2 | 1 | 31 | 247.406 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.92 | 7.88 | -106.73 | 4 | 2 | 2 | 32 | 248.414 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.