UCSF

ZINC01386148

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 18 No

Popular Name: 2-(3-nitrophenyl)imidazo[1,2-a]pyrimidine 2-(3-nitrophenyl)imidazo[1,2-a]p…

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CAS Numbers: 134044-50-1 , [134044-50-1]

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) 1.99 9.87 -24.57 0 6 0 76 240.222 2 ↓
Hi High (pH 8-9.5) 2.68 9.21 -47.57 2 5 1 55 356.49 4 ↓
Mid Mid (pH 6-8) 1.99 10.33 -41.91 1 6 1 77 241.23 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 257 - 260 KeyOrganics

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Rings

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

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