UCSF

ZINC45218894

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 17 Yes

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile (2S)-2-(cyclopropylamino)-2-meth…

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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) 1.02 6.28 -14.23 1 5 0 67 251.359 6 ↓
Mid Mid (pH 6-8) 1.02 7.41 -54.42 2 5 1 71 252.367 6 ↓

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

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