UCSF

ZINC52419121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 20 Yes

Popular Name: 1-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-(3,4-dihydro-1H-isoquino…

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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) 1.07 7.04 -101.92 3 5 2 52 273.384 5 ↓
Hi High (pH 8-9.5) 1.07 3.32 -8.81 1 5 0 46 271.368 5 ↓
Mid Mid (pH 6-8) 1.07 4.77 -44.85 2 5 1 51 272.376 5 ↓

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

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