UCSF

ZINC45218834

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 16 Yes

Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile (2R)-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) 0.75 5.7 -11.28 1 5 0 67 237.332 5 ↓
Lo Low (pH 4.5-6) 0.75 6.83 -46.61 2 5 1 71 238.34 5 ↓

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

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