UCSF

ZINC08845171

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 31 Yes

Popular Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-8-(5-chloro-2-hydroxy-4-methyl-phenyl)-3-(2-hydroxyethyl)-3,6 2-(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) 3.45 2.39 -17.08 4 8 0 119 508.756 5 ↓
Ref Reference (pH 7) 3.45 2.12 -11.99 4 8 0 119 508.756 5 ↓
Hi High (pH 8-9.5) 3.42 2.85 -44.77 2 8 -1 118 507.748 5 ↓
Hi High (pH 8-9.5) 3.43 1.81 -54.12 2 8 -1 118 507.748 5 ↓
Hi High (pH 8-9.5) 3.43 2.73 -119.86 1 8 -2 121 506.74 5 ↓
Hi High (pH 8-9.5) 3.43 2.68 -50.82 2 8 -1 118 507.748 5 ↓
Hi High (pH 8-9.5) 3.43 3.62 -91.58 1 8 -2 121 506.74 5 ↓
Hi High (pH 8-9.5) 3.45 3.16 -40.88 3 8 -1 122 507.748 5 ↓
Mid Mid (pH 6-8) 3.45 2.89 -49.26 3 8 -1 122 507.748 5 ↓

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