UCSF

ZINC19989708

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 29 Yes

Popular Name: N-butyl-N-methyl-2-[4-oxo-2-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin N-butyl-N-methyl-2-[4-oxo-2-(pyr…

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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) 3.09 13.1 -53.1 1 6 1 60 417.599 7 ↓
Mid Mid (pH 6-8) 3.09 10.67 -19.45 0 6 0 58 416.591 7 ↓

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

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