UCSF

ZINC22682876

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 29 No

Popular Name: N-[2-[[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide N-[2-[[(2R)-2-dimethylamino-2-(3…

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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) 2.83 8.15 -61.34 3 8 1 108 403.434 8 ↓
Hi High (pH 8-9.5) 2.83 5.79 -17.46 2 8 0 107 402.426 8 ↓

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

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