UCSF

ZINC62526645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 19 Yes

Popular Name: (2S)-4-[cyclohexylmethyl(methyl)amino]-2-(cyclopropylamino)butanamide (2S)-4-[cyclohexylmethyl(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) 2.33 4.84 -43.78 4 4 1 60 268.425 8 ↓
Lo Low (pH 4.5-6) 2.33 5.76 -115.87 5 4 2 64 269.433 8 ↓

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

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