UCSF

ZINC62322436

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 21 Yes

Popular Name: (1S,2S,4R)-4-tert-butyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexanamine (1S,2S,4R)-4-tert-butyl-2-(6,8-d…

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) 1.74 6.72 -92.65 4 4 2 50 292.471 3 ↓
Hi High (pH 8-9.5) 1.74 6.25 -52.2 3 4 1 49 291.463 3 ↓

Activity (Go SEA)

Rings

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

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