UCSF

ZINC62322697

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)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) -0.74 5.51 -93.29 4 4 2 50 276.359 4 ↓
Hi High (pH 8-9.5) -0.74 4.76 -9.64 2 4 0 47 274.343 4 ↓
Hi High (pH 8-9.5) -0.74 5.19 -28.9 3 4 1 48 275.351 4 ↓

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

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