UCSF

ZINC40448047

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 Yes

Other Names:

MFCD11840286

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) 1.53 6.56 -10.09 0 2 0 34 206.216 1
Ref Reference (pH 7) 2.28 6.36 -41.27 0 2 -1 40 205.208 1
Mid Mid (pH 6-8) 2.28 6.36 -41.25 0 2 -1 40 205.208 1
Mid Mid (pH 6-8) 2.28 4.64 -10.07 1 2 0 37 206.216 1
Mid Mid (pH 6-8) 2.28 4.64 -10.08 1 2 0 37 206.216 1

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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

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