UCSF

ZINC08100868

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2006 9 No

Popular Name: nitrocyclohexane nitrocyclohexane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1122-60-7 , 98-95-3

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) 2.00 5.15 -3.82 0 3 0 46 129.159 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 113 / 45 TCI
Purity 95% Fluorochem
UniProt Database Links DBR_TOBAC; NAO_FUSOX ChEBI
PUBCHEM_PATENT_ID EP0308581A2 IBM Patent Data
PUBCHEM_PATENT_ID US5545624 IBM Patent Data

Activity (Go SEA)

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

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