UCSF

ZINC65532503

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: methyl [2-nitro(phenylsulfonyl)anilino]acetate methyl [2-nitro(phenylsulfonyl)a…

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Other Names:

MFCD01030668

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) 2.86 10.05 -42.44 5 6 1 86 341.483 4 ↓
Mid Mid (pH 6-8) 2.86 8.2 -27.14 5 6 1 86 341.483 4 ↓
Mid Mid (pH 6-8) 2.86 7.83 -6.99 4 6 0 84 340.475 4 ↓
Lo Low (pH 4.5-6) 2.86 10.41 -94.02 6 6 2 87 342.491 4 ↓

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Rings

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

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