UCSF

ZINC69094051

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Substance Information

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

Popular Name: (2S)-2-cyclopropyl-3-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-[(4-ethyl-5…

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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) 0.90 3.33 -11.08 2 6 0 87 267.358 6 ↓
Lo Low (pH 4.5-6) 0.90 4.32 -54.5 3 6 1 91 268.366 6 ↓

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

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