UCSF

ZINC63221046

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 13 Yes

Popular Name: (2S)-2-cyano-N-[(1S)-2-hydroxy-1-methyl-ethyl]-3-methyl-butanamide (2S)-2-cyano-N-[(1S)-2-hydroxy-1…

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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) 1.15 0.42 -7.54 2 4 0 73 184.239 4 ↓

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