UCSF

ZINC03844058

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 20 No

CAS Number: 65635-48-5

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) 4.58 2.14 -4.4 0 1 0 17 274.448 0

Vendor Notes

Note Type Comments Provided By
mp 101 - 103 MolMall (formerly Molecular Diversity Preservation International)
mp 288.5 - 289.5 MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID EP0077541A1; EP0375349A1; EP0375349B1; EP0375351A1; EP0633893B1; EP0786999A1; EP0792371A1; US3943124; US3953429; US4013688; US4071625; US4265823; US4297350; US4451460; US4456601; US4558690; US4668455; US5026882; US5155107; US5215894; US5236912; US5389624 IBM Patent Data

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

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