UCSF

ZINC69093157

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 21 Yes

Popular Name: (2S)-2-cyclopropyl-2-(cyclopropylamino)-3-(9H-purin-6-ylsulfanyl)propanenitrile (2S)-2-cyclopropyl-2-(cyclopropy…

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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) 1.41 6.44 -15.59 2 6 0 90 300.391 6 ↓
Mid Mid (pH 6-8) 1.41 6 -36.94 1 6 -1 89 299.383 6 ↓
Lo Low (pH 4.5-6) 1.41 7.44 -41.77 3 6 1 95 301.399 6 ↓

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

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