UCSF

ZINC00002114

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Popular Name: USP) USP)

Find On: PubMed — Wikipedia — Google

CAS Number: 80-74-0

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) 0.59 2.78 -15.67 2 7 0 107 309.347 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0040899A2; EP0052917A2; EP0293066A2; EP0293066B1; EP0297725A2; EP0297725B1; EP0300623B1; EP0313992A1; EP0313992B1; EP0413061A1; EP0413061B1; EP0482075A1; EP0482075B1; EP0490987A1; EP0490987B1; EP0523172A1; EP0523172B1; EP0537998B1; EP0546038B1; EP056953 IBM Patent Data

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

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