UCSF

ZINC58324252

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 Yes

Popular Name: (2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-propan-1-one (2S)-2-[(6-ethyl-2-methyl-thieno…

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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) 1.14 6 -53.93 3 6 1 75 334.469 4 ↓
Mid Mid (pH 6-8) 1.14 4.71 -9.82 2 6 0 70 333.461 4 ↓

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

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