UCSF

ZINC09059472

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 27 No

Popular Name: 5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-(2-furylcarbonyl)-3-hydroxy-1-(2-hydroxyethyl)-5H-pyrrol-2- 5-(3-bromo-4-hydroxy-5-methoxy-p…

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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) 1.31 2.89 -45.71 2 8 -1 123 437.222 6 ↓
Hi High (pH 8-9.5) 1.31 3.65 -105.48 1 8 -2 126 436.214 6 ↓
Mid Mid (pH 6-8) 0.73 1.66 -18.7 2 8 0 117 438.23 6 ↓
Mid Mid (pH 6-8) 1.75 1.64 -25.25 3 8 0 120 438.23 5 ↓

Activity (Go SEA)

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