UCSF

ZINC13038079

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 29 Yes

Popular Name: 2-[(6-acetyl-5-methyl-4-oxo-3H-thieno[5,4-d]pyrimidin-2-yl)methyl-methyl-amino]-N-(2,6-dichloropheny 2-[(6-acetyl-5-methyl-4-oxo-3H-t…

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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) 3.60 7.2 -21.48 2 7 0 95 453.351 6 ↓
Mid Mid (pH 6-8) 3.60 9.38 -66.05 3 7 1 96 454.359 6 ↓
Mid Mid (pH 6-8) 4.05 6.7 -54.13 2 7 0 99 453.351 6 ↓

Activity (Go SEA)

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