UCSF

ZINC09356619

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 27 No

Popular Name: 4-(2-furoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one 4-(2-furoyl)-3-hydroxy-1-[2-(2-h…

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Other Names:

MFCD04027664

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) 1.34 4.27 -69.03 1 7 -1 103 370.381 8 ↓
Mid Mid (pH 6-8) 0.76 -2.01 -16.64 1 7 0 97 371.389 8 ↓
Lo Low (pH 4.5-6) 1.34 3.46 -19.8 2 7 0 100 371.389 8 ↓

Activity (Go SEA)

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