UCSF

ZINC65164394

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 19 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) 1.58 4.74 -13.35 1 5 0 66 277.349 2
Mid Mid (pH 6-8) 1.58 5.22 -42 2 5 1 67 278.357 2
Mid Mid (pH 6-8) 1.58 5.22 -42.01 2 5 1 67 278.357 2

Activity (Go SEA)

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

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