UCSF

ZINC20103902

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 32 Yes

Popular Name: 4-[[2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(4-methylpiperazin-1-yl)pro 4-[[2-(5,6-dimethyl-4-oxo-thieno…

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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) 0.36 6.9 -60.19 3 9 1 101 463.628 10 ↓
Hi High (pH 8-9.5) 0.36 4.43 -27.37 2 9 0 100 462.62 10 ↓
Mid Mid (pH 6-8) 0.36 6.76 -63.12 3 9 1 101 463.628 10 ↓

Activity (Go SEA)

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