UCSF

ZINC21531575

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 Yes

Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-isoxazolo[4,5-e]pyrimidin-4-amine N-[[(2S)-1-ethylpyrrolidin-2-yl]…

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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) 1.12 6.26 -46.85 2 6 1 68 262.337 4 ↓
Hi High (pH 8-9.5) 1.12 3.92 -9.45 1 6 0 67 261.329 4 ↓

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

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