UCSF

ZINC62525730

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 18 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-[cyclopropylmethyl(isopropyl)amino]butanamide (2S)-2-(cyclopropylamino)-4-[cyc…

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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) 1.59 3.61 -40.39 4 4 1 60 254.398 9 ↓
Lo Low (pH 4.5-6) 1.59 4.57 -112.26 5 4 2 64 255.406 9 ↓

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

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