UCSF

ZINC62321428

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 18 Yes

Popular Name: 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-aniline 4-(6,8-dihydro-5H-imidazo[1,2-a]…

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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) 1.02 5.09 -28.32 3 4 1 48 243.334 2 ↓
Hi High (pH 8-9.5) 1.02 4.63 -9.41 2 4 0 47 242.326 2 ↓
Lo Low (pH 4.5-6) 1.02 6.87 -45.53 3 4 1 48 243.334 2 ↓

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

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