UCSF

ZINC66879105

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 24 Yes

Popular Name: N-methyl-N-[1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-4-piperidyl]ethanesulfonamide N-methyl-N-[1-[(4-oxo-3H-thieno[…

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Vendors

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) 1.28 2.27 -53.51 1 7 0 91 370.5 5 ↓
Mid Mid (pH 6-8) 0.82 2.71 -19 1 7 0 86 370.5 5 ↓
Mid Mid (pH 6-8) 0.82 4.91 -62.88 2 7 1 88 371.508 5 ↓

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

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