UCSF

ZINC65535514

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: 4-nitro-N-(2-methoxyethyl)-3-methylbenzamide 4-nitro-N-(2-methoxyethyl)-3-met…

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Other Names:

MFCD01216557

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) 2.23 8.96 -51.11 1 7 1 69 358.466 3 ↓
Hi High (pH 8-9.5) 2.23 6.73 -15.67 0 7 0 67 357.458 3 ↓

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

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