UCSF

ZINC13282577

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 17 Yes

Popular Name: 1-(beta-Phenylethyl)triazolo(4,5-c)pyridine hydrochloride; 1H-1,2,3-Triazolo(4,5-c)pyridine, 1-(2-phenylethyl)-, monohydrochloride; 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride; LS-156731; PCA9 1-(beta-Phenylethyl)triazolo(4,5…

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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) 2.07 5.85 -8 0 4 0 44 224.267 3 ↓
Lo Low (pH 4.5-6) 2.07 6.13 -42.05 1 4 1 45 225.275 3 ↓

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Rings

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

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