UCSF

ZINC13425456

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 30 No

Popular Name: (NZ)-N-[(5Z)-5-(5-ethoxy-2-oxo-indolin-3-ylidene)-4-oxo-thiazolidin-2-ylidene]-4-methyl-benzenesulfo (NZ)-N-[(5Z)-5-(5-ethoxy-2-oxo-i…

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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) 4.48 4.6 -15.71 2 8 0 121 443.506 4 ↓
Hi High (pH 8-9.5) 4.93 2.63 -50.89 1 8 -1 125 442.498 4 ↓
Hi High (pH 8-9.5) 5.39 0.83 -117.77 0 8 -2 128 441.49 4 ↓
Mid Mid (pH 6-8) 4.93 2.79 -54.83 1 8 -1 125 442.498 4 ↓

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Rings

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

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