UCSF

ZINC69569742

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 16 Yes

Popular Name: 4-iodo-3-methyl-N-(4H-1,2,4-triazol-3-yl)benzamide 4-iodo-3-methyl-N-(4H-1,2,4-tria…

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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) 2.06 7.82 -13.76 2 5 0 71 328.113 2 ↓
Mid Mid (pH 6-8) 2.13 6.35 -40.93 1 5 -1 77 327.105 2 ↓
Mid Mid (pH 6-8) 2.06 7.62 -44.36 1 5 -1 69 327.105 2 ↓

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

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