UCSF

ZINC22357936

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 31 No

Popular Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-[4-(1H-indol-3-yl)thiazol-2-yl]acetamide 2-[(2-chloro-5-nitro-phenyl)meth…

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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) 4.92 10.78 -44.55 3 8 1 111 456.935 6 ↓
Hi High (pH 8-9.5) 4.36 9.61 -20.75 2 8 0 107 455.927 7 ↓
Mid Mid (pH 6-8) 4.36 11.8 -58.86 3 8 1 108 456.935 7 ↓

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

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