UCSF

ZINC00326405

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 17 No

Popular Name: N-(4-nitrobenzyl)cyclohexanamine N-(4-nitrobenzyl)cyclohexanamine

Find On: PubMed — Wikipedia — Google

CAS Number: 59507-51-6

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) 3.36 0.25 -54.89 2 4 1 62 235.307 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3980677; WO1999052869A1; WO1999062882A1; WO2000073297A1 IBM Patent Data

Activity (Go SEA)

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