UCSF

ZINC65530535

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Substance Information

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

Popular Name: N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)benzohydrazide N'-(2-{3-nitro-1H-1,2,4-triazol-…

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Other Names:

MFCD01417153

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) 1.94 9.13 -54.92 2 5 1 55 327.452 3 ↓
Hi High (pH 8-9.5) 1.94 7.81 -16.03 1 5 0 50 326.444 3 ↓
Mid Mid (pH 6-8) 1.94 9.7 -88.84 3 5 2 56 328.46 3 ↓

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

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