UCSF

ZINC53388277

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 14 Yes

Popular Name: N'-cyclopropyl-N-(4-methylcyclohexyl)ethane-1,2-diamine N'-cyclopropyl-N-(4-methylcycloh…

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) 1.93 5.85 -115.3 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 1.93 4.55 -37.43 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 1.93 4.68 -34.26 3 2 1 29 197.346 5 ↓

Activity (Go SEA)

Rings

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

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