UCSF

ZINC70000733

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 Yes

Popular Name: (1S)-N-ethyl-2-[1-(1-ethylpropyl)pyrazol-3-yl]-1-pyrazin-2-yl-ethanamine (1S)-N-ethyl-2-[1-(1-ethylpropyl…

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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) 2.83 6.6 -31.6 2 5 1 60 288.419 8 ↓
Mid Mid (pH 6-8) 2.83 5.44 -7.66 1 5 0 56 287.411 8 ↓

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

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