UCSF

ZINC19910897

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 22 Yes

Popular Name: 2-[(4-methyl-1-piperazinyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one 2-[(4-methyl-1-piperazinyl)methy…

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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) 1.72 6.65 -45.16 2 5 1 53 319.454 2 ↓
Mid Mid (pH 6-8) 1.72 5.49 -60.85 2 5 1 53 319.454 2 ↓
Mid Mid (pH 6-8) 1.72 3.19 -20.42 1 5 0 52 318.446 2 ↓

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