UCSF

ZINC05562722

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 24 No

Popular Name: 2-[2-[(2-hydroxy-1H-indol-3-yl)azo]-4-oxo-thiazol-5-yl]ethyl 2-[2-[(2-hydroxy-1H-indol-3-yl)a…

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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) 1.25 4.91 -17.96 2 8 0 113 346.368 5 ↓
Hi High (pH 8-9.5) 1.07 4.05 -21.32 2 8 0 113 346.368 7 ↓
Hi High (pH 8-9.5) 1.71 2.92 -58.98 1 8 -1 116 345.36 5 ↓

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