UCSF

ZINC39617451

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 29 Yes

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

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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) 2.40 5.06 -23.4 2 8 0 104 414.487 7 ↓
Mid Mid (pH 6-8) 2.85 4.65 -58.66 2 8 0 109 414.487 7 ↓
Mid Mid (pH 6-8) 1.31 6.86 -55 2 8 1 103 415.495 7 ↓

Activity (Go SEA)

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