UCSF

ZINC52879300

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 Yes

Popular Name: (1R)-1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine (1R)-1-phenyl-1-([1,2,4]triazolo…

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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) 1.36 7.42 -63.36 3 5 1 71 240.29 2 ↓
Mid Mid (pH 6-8) 1.36 7.2 -16.85 2 5 0 69 239.282 2 ↓

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

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