UCSF

ZINC69232366

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) -0.42 4.23 -90.35 5 6 2 82 279.388 6
Hi High (pH 8-9.5) -0.42 3.03 -31.94 4 6 1 77 278.38 6
Hi High (pH 8-9.5) -0.42 2.56 -14.23 3 6 0 76 277.372 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.