UCSF

ZINC54931076

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 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) 2.65 5.35 -9.85 1 3 0 38 199.257 2
Mid Mid (pH 6-8) 2.65 5.54 -27.09 2 3 1 39 200.265 2
Mid Mid (pH 6-8) 2.65 5.49 -24.25 2 3 1 39 200.265 2

Activity (Go SEA)

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

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