UCSF

ZINC01019852

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 26 No

Popular Name: 2-(ethylsulfanyl)-5-(4-hydroxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione 2-(ethylsulfanyl)-5-(4-hydroxyph…

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Other Names:

MFCD03861323

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) 4.02 3.08 -123.78 1 6 -2 104 367.43 3 ↓
Mid Mid (pH 6-8) 3.57 5 -49.98 2 6 -1 101 368.438 3 ↓
Mid Mid (pH 6-8) 3.57 4.46 -54.48 2 6 -1 101 368.438 3 ↓

Activity (Go SEA)

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