In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 35 | 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) | 2.73 | 10.13 | -41.81 | 3 | 9 | 1 | 107 | 474.541 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 9.62 | -20.23 | 2 | 9 | 0 | 106 | 473.533 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.