UCSF

ZINC55464371

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 17 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) 1.60 9.53 -30.13 1 4 1 41 230.291 2
Hi High (pH 8-9.5) 1.60 8.46 -13.48 0 4 0 39 229.283 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999000390A1 IBM Patent Data

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

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