UCSF

ZINC40286291

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 24 Yes

Popular Name: 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4- 2-[[4-(2-hydroxyethyl)piperazin-…

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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) 1.09 3.92 -50.16 3 6 1 74 349.48 4 ↓
Mid Mid (pH 6-8) 1.09 1.7 -12.36 2 6 0 72 348.472 4 ↓

Activity (Go SEA)

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