UCSF

ZINC62602524

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 20 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-(9H-purin-6-ylsulfanyl)butanamide (2S)-2-(cyclopropylamino)-4-(9H-…

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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) 0.24 3.51 -50.83 5 7 1 114 293.376 7 ↓
Hi High (pH 8-9.5) 0.24 2.11 -41.96 3 7 -1 108 291.36 7 ↓
Mid Mid (pH 6-8) 0.24 3.06 -57.69 4 7 0 112 292.368 7 ↓

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

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