UCSF

ZINC23038612

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 27 No

Popular Name: (2S)-2-[[2-[(2-bromophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[(3-fluorophenyl)methyl]-N-methyl-pro (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) 3.49 10.29 -46.66 2 5 1 54 437.333 7 ↓
Hi High (pH 8-9.5) 3.49 8.1 -20.84 1 5 0 53 436.325 7 ↓

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

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