UCSF

ZINC62463429

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 20 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)amino]butanoic (2S)-2-(cyclopropylamino)-4-[[(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) -0.28 7.64 -72.64 3 5 1 70 285.408 11 ↓
Mid Mid (pH 6-8) -0.28 6.77 -46.58 2 5 0 66 284.4 11 ↓
Mid Mid (pH 6-8) -0.28 5.78 -35.53 2 5 0 69 284.4 11 ↓

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

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