UCSF

ZINC13674620

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

Popular Name: 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-1-prop-2-ynyl-piperidine-4-carbohydroxamic 4-[[4-(3,4-dimethylphenoxy)pheny…

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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) 2.84 5.98 -27.73 2 7 0 96 456.564 7 ↓
Hi High (pH 8-9.5) 2.84 9.47 -79.9 2 7 0 100 456.564 7 ↓
Hi High (pH 8-9.5) 2.84 7.18 -70.98 1 7 -1 99 455.556 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998039315A1 IBM Patent Data

Activity (Go SEA)

Rings

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

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