UCSF

ZINC41530537

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 Yes

Popular Name: 4-[3-(imidazol-1-ylmethyl)anilino]-6-methyl-cinnoline-3-carbonitrile 4-[3-(imidazol-1-ylmethyl)anilin…

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Download: MOL2 SDF SMILES Flexibase

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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) 3.90 10.69 -15.7 1 6 0 79 340.39 4 ↓
Mid Mid (pH 6-8) 3.90 11.21 -40.9 2 6 1 81 341.398 4 ↓

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

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