In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 21 | 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) | 2.83 | 6.85 | -26.59 | 5 | 5 | 1 | 80 | 281.339 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 6.58 | -10.03 | 4 | 5 | 0 | 79 | 280.331 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.