UCSF

ZINC21548834

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 24 No

Popular Name: (4R)-4-nitro-2-[(E)-[(Z)-[(5R)-5-phenyl-4,5-dihydropyrazol-3-ylidene]hydrazono]methyl]cyclohexa-1,5- (4R)-4-nitro-2-[(E)-[(Z)-[(5R)-5…

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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) 2.21 7.96 -19.17 1 8 0 120 325.328 4 ↓
Mid Mid (pH 6-8) 2.21 6.36 -35.52 2 8 1 117 326.336 4 ↓
Mid Mid (pH 6-8) 2.01 6.87 -42.77 2 8 0 123 325.328 3 ↓

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

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