UCSF

ZINC36154699

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 Yes

Popular Name: 2-[2-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline 2-[2-[(1S)-1,2,3,4-tetrahydroiso…

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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) 2.46 10.09 -40.31 2 2 1 16 293.434 3 ↓
Mid Mid (pH 6-8) 2.46 11.26 -125.65 3 2 2 21 294.442 3 ↓
Mid Mid (pH 6-8) 2.46 8.97 -43.73 2 2 1 20 293.434 3 ↓
Mid Mid (pH 6-8) 2.46 7.81 -3.66 1 2 0 15 292.426 3 ↓

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