UCSF

ZINC23214288

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 26 Yes

Popular Name: [5-methyl-4-(4-methylpiperazin-1-yl)thieno[4,5-e]pyrimidin-6-yl]-[(3S)-3-methyl-1-piperidyl]methanon [5-methyl-4-(4-methylpiperazin-1…

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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) 2.62 10.91 -44.83 1 6 1 54 374.534 2 ↓
Mid Mid (pH 6-8) 2.62 8.44 -7.72 0 6 0 53 373.526 2 ↓

Activity (Go SEA)

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