UCSF

ZINC54933126

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 Yes

Other Names:

MFCD28125886

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) 2.42 5.31 -40.07 2 2 1 26 214.235 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5472958 IBM Patent Data

Activity (Go SEA)

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