UCSF

ZINC04169845

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 26 Yes

Popular Name: (5-chloro-2-hydroxy-phenyl)-ethoxy-BLAHone (5-chloro-2-hydroxy-phenyl)-etho…

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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) 4.78 3.87 -54.41 1 6 -1 88 369.784 3 ↓
Hi High (pH 8-9.5) 4.78 4.65 -130.55 0 6 -2 90 368.776 3 ↓
Mid Mid (pH 6-8) 4.78 -3.76 -17.9 2 6 0 84 370.792 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.