UCSF

ZINC12427758

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 17 No

Popular Name: methyl 2-mercapto-3-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxylate methyl 2-mercapto-3-methyl-4-oxo…

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CAS Numbers: , 874607-16-6

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) 1.91 5.54 -37.58 0 5 -1 61 249.271 2 ↓
Ref Reference (pH 7) 1.64 4.53 -36.52 0 5 -1 67 249.271 2 ↓
Mid Mid (pH 6-8) 1.19 5.8 -10.07 1 5 0 64 250.279 2 ↓

Activity (Go SEA)

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