UCSF

ZINC15475360

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2008 35 Yes

Popular Name: 2-[[4-(3,4-diethoxybenzoyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[3,2-e]pyrimid 2-[[4-(3,4-diethoxybenzoyl)piper…

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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) 2.68 11.5 -70.7 2 8 1 89 497.641 7 ↓
Mid Mid (pH 6-8) 2.68 11.63 -67.34 2 8 1 89 497.641 7 ↓
Mid Mid (pH 6-8) 2.68 9.45 -20.52 1 8 0 88 496.633 7 ↓

Activity (Go SEA)

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