UCSF

ZINC62322495

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 20 Yes

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

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) 1.92 6.43 -91.58 4 4 2 50 278.444 3 ↓
Hi High (pH 8-9.5) 1.92 5.97 -51.72 3 4 1 49 277.436 3 ↓

Activity (Go SEA)

Rings

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

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