UCSF

ZINC09243045

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 Yes

Popular Name: 8-(5-chloro-2-hydroxy-4-methyl-phenyl)-2-(4-hydroxy-3-methoxy-phenyl)-3-(3-hydroxypropyl)-3,6,7-tria 8-(5-chloro-2-hydroxy-4-methyl-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) 2.75 1.87 -15.49 4 8 0 119 443.887 6 ↓
Hi High (pH 8-9.5) 2.73 2.42 -51.41 2 8 -1 118 442.879 6 ↓
Hi High (pH 8-9.5) 2.73 2.04 -51.38 2 8 -1 118 442.879 6 ↓
Hi High (pH 8-9.5) 2.75 2.86 -39.41 3 8 -1 122 442.879 6 ↓
Mid Mid (pH 6-8) 2.75 2.63 -52.94 3 8 -1 122 442.879 6 ↓

Activity (Go SEA)

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