UCSF

ZINC65530087

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Popular Name: 2-[(benzylimino)methyl]-1-{4-nitrophenyl}-1H-pyrrole 2-[(benzylimino)methyl]-1-{4-nit…

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Other Names:

MFCD00392469

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) 1.57 6.23 -46.84 2 7 1 67 349.846 5 ↓
Hi High (pH 8-9.5) 1.57 3.75 -14.4 1 7 0 66 348.838 5 ↓

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

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