UCSF

ZINC62322699

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-N-methyl-propan-1-amine (1S)-3-(6,8-dihydro-5H-imidazo[1…

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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) 0.62 7.1 -87.02 3 4 2 39 290.386 5 ↓
Hi High (pH 8-9.5) 0.62 6.32 -28.65 2 4 1 34 289.378 5 ↓
Hi High (pH 8-9.5) 0.62 6.63 -51.62 2 4 1 38 289.378 5 ↓

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Rings

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

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