UCSF

ZINC08972819

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 27 No

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

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Other Names:

MFCD04011832

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) 0.39 0.81 -71.51 2 8 -1 123 372.353 8 ↓
Mid Mid (pH 6-8) -0.19 2.2 -17.14 2 8 0 117 373.361 8 ↓
Mid Mid (pH 6-8) 0.84 1.35 -25.41 3 8 0 120 373.361 7 ↓
Mid Mid (pH 6-8) -1.30 0.31 -13.17 0 8 0 94 329.36 2 ↓

Activity (Go SEA)

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