UCSF

ZINC62969317

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-methyl-thieno[2,3-d]pyrimidin-4-amine 2-[[(3S)-3-(dimethylamino)pyrrol…

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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) 1.34 4.83 -32.54 2 5 1 45 292.432 4 ↓
Hi High (pH 8-9.5) 1.34 2.33 -8.52 1 5 0 44 291.424 4 ↓
Mid Mid (pH 6-8) 1.34 4.73 -40.18 2 5 1 45 292.432 4 ↓
Mid Mid (pH 6-8) 1.34 7.22 -103.56 3 5 2 47 293.44 4 ↓

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

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