UCSF

ZINC69779914

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethyl-imidazo[1,2-a]pyrimidine 2-[[(3S)-3-ethyl-4-(2-methoxyeth…

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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) 1.82 9.19 -37.25 1 6 1 47 332.472 6 ↓
Mid Mid (pH 6-8) 1.82 6.97 -15.29 0 6 0 46 331.464 6 ↓
Mid Mid (pH 6-8) 1.82 9.23 -41.03 1 6 1 47 332.472 6 ↓
Lo Low (pH 4.5-6) 1.82 9.36 -77.16 2 6 2 48 333.48 6 ↓

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Rings

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

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