UCSF

ZINC69658974

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 19 Yes

Popular Name: N-[[(2S)-4-ethylmorpholin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine N-[[(2S)-4-ethylmorpholin-2-yl]m…

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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) 1.52 3.76 -7.8 1 5 0 50 278.381 4 ↓
Mid Mid (pH 6-8) 1.52 6.05 -42.17 2 5 1 51 279.389 4 ↓
Lo Low (pH 4.5-6) 1.52 6.51 -78.34 3 5 2 53 280.397 4 ↓

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

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