UCSF

ZINC62461941

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 18 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]butanoic (2S)-2-(cyclopropylamino)-4-[met…

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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) -1.08 4.39 -35.15 2 5 0 69 256.346 8 ↓
Mid Mid (pH 6-8) -1.08 6.65 -75.89 3 5 1 70 257.354 8 ↓
Mid Mid (pH 6-8) -1.08 5.76 -49.89 2 5 0 66 256.346 8 ↓

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

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