UCSF

ZINC08383874

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 37 No

Popular Name: 5-[4-(benzyloxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one 5-[4-(benzyloxy)phenyl]-4-(2,3-d…

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Other Names:

MFCD04088664

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 9.74 -64.32 0 8 -1 97 500.527 9 ↓
Mid Mid (pH 6-8) 3.97 -1.25 -32.2 1 8 0 94 501.535 8 ↓
Mid Mid (pH 6-8) 2.94 -1.01 -25.11 0 8 0 91 501.535 9 ↓

Activity (Go SEA)

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