UCSF

ZINC09374656

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 30 No

Popular Name: 4-(2-furyl-hydroxy-methylene)-1-[2-(2-hydroxyethoxy)ethyl]-5-[4-hydroxy-3-(methoxymethyl)phenyl]-pyr 4-(2-furyl-hydroxy-methylene)-1-…

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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) 0.76 0.8 -67.59 2 9 -1 133 416.406 10 ↓
Mid Mid (pH 6-8) 1.21 -4.13 -24.77 3 9 0 129 417.414 9 ↓
Mid Mid (pH 6-8) 0.18 -4.24 -17.54 2 9 0 126 417.414 10 ↓
Mid Mid (pH 6-8) -1.13 2.24 -13.37 0 7 0 82 331.372 2 ↓

Activity (Go SEA)

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