UCSF

ZINC38231044

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 26 Yes

Other Names:

MFCD15145297

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) -0.16 0.22 -25.43 4 11 0 152 367.362 5
Mid Mid (pH 6-8) 0.30 -1.61 -70.66 3 11 -1 155 366.354 5

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0886641A2; WO1997026270A2 IBM Patent Data

Activity (Go SEA)

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