UCSF

ZINC03643847

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 8 Yes

Popular Name: azocane azocane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1121-92-2 , [1121-92-2]

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) 1.67 3.58 -34.64 2 1 1 17 114.212 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 162 TCI
Patent Database Links EP0812845; EP1103560; EP1479674; EP1479675; EP1479676; EP1479677; EP1479678; EP1479679; EP1479680; EP1491532; EP1568698; EP1571154; EP1849776; EP1944301; EP1947086; US2005009827; US2005009828; US2005009829; US2005033049; US2005085466; US2005085467; US2005 ChEBI
PUBCHEM_PATENT_ID WO1999051605A1; WO2000000201A1; WO2000007590A1; WO2000007591A1; WO2000037022A2; WO2000037358A1 IBM Patent Data

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

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