UCSF

ZINC62599828

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 19 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide (2S)-2-(cyclopropylamino)-4-[(6-…

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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) 1.08 1.51 -51.87 5 6 1 105 283.377 7 ↓
Hi High (pH 8-9.5) 1.53 -1.41 -50.37 3 6 -1 104 281.361 7 ↓
Hi High (pH 8-9.5) 1.08 0.58 -13.8 4 6 0 101 282.369 7 ↓
Mid Mid (pH 6-8) 1.53 -0.48 -54.52 4 6 0 109 282.369 7 ↓

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Rings

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

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