UCSF

ZINC55422053

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 20 Yes

Popular Name: 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 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) 0.37 -1.59 -46.31 2 6 0 77 294.38 4 ↓
Mid Mid (pH 6-8) -0.09 -0.99 -13.77 2 6 0 72 294.38 4 ↓
Mid Mid (pH 6-8) -0.09 1.35 -45.33 3 6 1 74 295.388 4 ↓
Mid Mid (pH 6-8) -0.09 1.23 -50.95 3 6 1 74 295.388 4 ↓

Activity (Go SEA)

Rings

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