UCSF

ZINC05092977

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 30 No

Popular Name: N'-{5-nitro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-2-(5-isopropyl-2-methylphenoxy)acetohydrazide N'-{5-nitro-7-methyl-2-oxo-1,2-d…

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Other Names:

MFCD00565521

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) 4.50 9.23 -17.19 2 9 0 129 410.43 6 ↓
Ref Reference (pH 7) 4.50 9.1 -19.18 2 9 0 129 410.43 6 ↓
Hi High (pH 8-9.5) 4.96 7.47 -38.31 1 9 -1 132 409.422 6 ↓
Hi High (pH 8-9.5) 4.96 7.21 -46.21 1 9 -1 132 409.422 6 ↓
Mid Mid (pH 6-8) 5.41 7.68 -48.7 1 9 -1 136 409.422 6 ↓

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

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