UCSF

ZINC13821046

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 17 Yes

CAS Numbers: 36791-04-5 , [36791-04-5]

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) -2.10 -7.52 -15.43 5 8 0 131 243.219 3
Mid Mid (pH 6-8) -2.10 -7 -42.54 6 8 1 132 244.227 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0661054A1; US5462929; WO1993002683A1; WO1993023056A1 IBM Patent Data

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

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