UCSF

ZINC62533191

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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]butanamide (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) 0.52 1.57 -45.22 4 5 1 69 256.37 6 ↓
Hi High (pH 8-9.5) 0.52 -0.38 -7.62 3 5 0 68 255.362 6 ↓
Lo Low (pH 4.5-6) 0.52 2.49 -119.81 5 5 2 73 257.378 6 ↓

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

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