UCSF

ZINC71589508

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 19 Yes

Popular Name: (2R)-2-amino-2-phenyl-N-[2-(1H-triazol-5-ylsulfanyl)ethyl]acetamide (2R)-2-amino-2-phenyl-N-[2-(1H-t…

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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) -1.27 0.95 -48.27 5 6 1 98 278.361 6 ↓
Hi High (pH 8-9.5) -1.27 0.63 -39.03 3 6 -1 95 276.345 6 ↓
Mid Mid (pH 6-8) -1.27 0.64 -9.7 4 6 0 97 277.353 6 ↓

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

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