UCSF

ZINC09293098

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 31 Yes

Popular Name: 2-(5-chloro-2-hydroxy-4-methyl-phenyl)-8-(3-ethoxy-4-hydroxy-phenyl)-7-(2-hydroxyethyl)-3,4,7-triaza 2-(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) 2.86 2.32 -15.66 4 8 0 119 443.887 6 ↓
Hi High (pH 8-9.5) 2.84 2.91 -46.8 2 8 -1 118 442.879 6 ↓
Hi High (pH 8-9.5) 2.84 2.62 -58.11 2 8 -1 118 442.879 6 ↓
Hi High (pH 8-9.5) 2.86 3.47 -43.03 3 8 -1 122 442.879 6 ↓
Mid Mid (pH 6-8) 2.86 3.1 -51.73 3 8 -1 122 442.879 6 ↓

Activity (Go SEA)

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