UCSF

ZINC62533230

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 18 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-[(2S)-2-methyl-1,4-oxazepan-4-yl]butanoic (2S)-2-(cyclopropylamino)-4-[(2S…

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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) -0.98 4.46 -36.1 2 5 0 69 256.346 6 ↓
Mid Mid (pH 6-8) -0.98 5.41 -50.31 2 5 0 66 256.346 6 ↓
Mid Mid (pH 6-8) -0.98 6.35 -83.44 3 5 1 70 257.354 6 ↓

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

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