In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 36 | 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) | 2.38 | 9.35 | -44.14 | 3 | 10 | 1 | 116 | 490.54 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 8.84 | -23.07 | 2 | 10 | 0 | 115 | 489.532 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.