UCSF

ZINC19482144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 11 No

Other Names:

MFCD08443672

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) -0.62 -0.4 -11.95 2 3 0 38 174.269 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000025768A1 IBM Patent Data

Activity (Go SEA)

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