UCSF

ZINC60019905

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 22 No

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) 1.42 5.37 -9.99 1 4 0 58 297.354 3
Mid Mid (pH 6-8) 1.42 6.43 -54.28 2 4 1 59 298.362 3
Mid Mid (pH 6-8) 1.42 7.28 -53.31 2 4 1 59 298.362 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4206210 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.