UCSF

ZINC62599182

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 21 Yes

Popular Name: (2R)-2-(cyclopropylamino)-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoic (2R)-2-(cyclopropylamino)-4-[(4-…

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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) 0.65 6.88 -40.4 3 6 0 102 311.407 9 ↓
Hi High (pH 8-9.5) 1.10 4.96 -62.01 2 6 -1 106 310.399 9 ↓

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

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