UCSF

ZINC19324140

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.55 5.2 -32.23 3 2 1 29 211.373 4
Mid Mid (pH 6-8) 3.55 5.42 -34.5 3 2 1 29 211.373 4
Mid Mid (pH 6-8) 3.55 6.6 -126.86 4 2 2 33 212.381 4

Vendor Notes

Note Type Comments Provided By
Purity 98% Fluorochem

Activity (Go SEA)

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

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