UCSF

ZINC23038651

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 26 No

Popular Name: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-(3-chloro-4-fluoro-phenyl)propanamide (2S)-2-[[2-[(2-bromophenyl)amino…

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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) 4.18 8.81 -55.18 3 5 1 63 443.724 6 ↓
Hi High (pH 8-9.5) 4.18 6.63 -22.47 2 5 0 61 442.716 6 ↓

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

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