UCSF

ZINC52909141

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 23 Yes

Other Names:

MFCD18378040

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) 4.46 6.08 -9.73 1 5 0 65 315.417 5
Mid Mid (pH 6-8) 4.46 8.33 -41.48 2 5 1 67 316.425 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.