UCSF

ZINC53663325

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 16 Yes

Popular Name: [(2S)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]methanamine [(2S)-1-thieno[3,2-d]pyrimidin-4…

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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) 0.72 4.53 -47.78 3 4 1 57 235.336 2 ↓
Lo Low (pH 4.5-6) 0.72 4.98 -89.7 4 4 2 58 236.344 2 ↓

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

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