UCSF

ZINC05286112

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 14 Yes

Other Names:

MFCD00956945

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) -0.28 5.38 -13.09 0 5 0 53 190.206 2
Mid Mid (pH 6-8) -0.28 6.47 -88.69 2 5 2 55 192.222 2
Mid Mid (pH 6-8) -0.28 6.08 -28.5 1 5 1 54 191.214 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0932598A1; WO1998016502A1 IBM Patent Data

Activity (Go SEA)

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