UCSF

ZINC00959849

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2004 28 No

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

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Other Names:

MFCD03861324

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) 3.84 3.07 -123.31 1 7 -2 114 397.456 4 ↓
Mid Mid (pH 6-8) 3.38 5 -51.14 2 7 -1 111 398.464 4 ↓
Mid Mid (pH 6-8) 3.38 4.45 -55.26 2 7 -1 111 398.464 4 ↓

Activity (Go SEA)

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