UCSF

ZINC61483041

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 16 Yes

Popular Name: (2S)-3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)propanoic (2S)-3-[cyclobutylmethyl(methyl)…

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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) -0.69 7.77 -77.01 3 4 1 61 227.328 7 ↓
Hi High (pH 8-9.5) -0.69 6.78 -39.89 2 4 0 57 226.32 7 ↓
Mid Mid (pH 6-8) -0.69 5.85 -28.67 2 4 0 60 226.32 7 ↓

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

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