UCSF

ZINC52909023

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 22 Yes

Other Names:

MFCD18377889

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) 5.38 8.57 -37.26 2 4 1 43 325.86 5
Hi High (pH 8-9.5) 5.38 6.28 -5.91 1 4 0 42 324.852 5

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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