UCSF

ZINC62463388

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 20 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)amino]butanamide (2S)-2-(cyclopropylamino)-4-[[(1…

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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) 1.23 3.09 -38.84 4 5 1 69 284.424 11 ↓
Hi High (pH 8-9.5) 1.23 1.09 -6.73 3 5 0 68 283.416 11 ↓
Lo Low (pH 4.5-6) 1.23 4.04 -110.58 5 5 2 73 285.432 11 ↓

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

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