UCSF

ZINC66143609

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 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) 0.88 5.56 -41.18 2 5 1 58 262.333 2
Mid Mid (pH 6-8) 0.88 4.7 -57.31 2 5 1 62 262.333 2
Mid Mid (pH 6-8) 0.88 6.57 -67.38 1 5 0 61 261.325 2

Activity (Go SEA)

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

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