UCSF

ZINC19368645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 18 Yes

Popular Name: 1,2,3,4-Tetrahydro-2-(2-piperidinoethyl)isoquinoline dihydrochloride; Isoquinoline, 1,2,3,4-tetrahydro-2-(2-piperidinoethyl)-, dihydrochloride; LS-86027; N-(beta-Piperidinoetil)-1,2,3,4-tetraidroisochinoline dicloridrato [Italian] 1,2,3,4-Tetrahydro-2-(2-piperidi…

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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) 2.67 8.45 -36.04 1 2 1 8 245.39 3 ↓
Lo Low (pH 4.5-6) 2.67 10.77 -119.02 2 2 2 9 246.398 3 ↓

Activity (Go SEA)

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