UCSF

ZINC66066509

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 22 Yes

Popular Name: (1R,2S)-N1,N2-dibenzylcyclohexane-1,2-diamine (1R,2S)-N1,N2-dibenzylcyclohexan…

Find On: PubMed — Wikipedia — Google

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) 4.07 9.79 -37.12 3 2 1 29 295.45 6 ↓
Lo Low (pH 4.5-6) 4.07 10.91 -125.69 4 2 2 33 296.458 6 ↓

Activity (Go SEA)

Rings

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

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