UCSF

ZINC08438668

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

Popular Name: 4-cinnamoyl-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-isopropylphenyl)-1,5-dihydro-2H-pyrrol-2-one 4-cinnamoyl-3-hydroxy-1-[2-(2-hy…

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Other Names:

MFCD03779531

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) 3.52 -1.39 -17.94 2 6 0 87 435.52 10 ↓
Mid Mid (pH 6-8) 3.52 -1.42 -26.68 2 6 0 87 435.52 9 ↓
Mid Mid (pH 6-8) 2.94 -1.61 -27.88 1 6 0 83 435.52 10 ↓

Activity (Go SEA)

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