UCSF

ZINC08384166

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 36 No

Popular Name: 5-[4-(allyloxy)-3-ethoxyphenyl]-3-hydroxy-1-(2-methoxyethyl)-4-(4-propoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one 5-[4-(allyloxy)-3-ethoxyphenyl]-…

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Other Names:

MFCD04148036

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) 3.96 9.83 -62.68 0 8 -1 97 494.564 14 ↓
Mid Mid (pH 6-8) 4.41 0.13 -31.22 1 8 0 94 495.572 13 ↓
Mid Mid (pH 6-8) 3.38 0.36 -24.19 0 8 0 91 495.572 14 ↓

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