UCSF

ZINC67982522

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 27 Yes

Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone 2-(3,4-dihydro-1H-isoquinolin-2-…

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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) 1.74 9.64 -90.27 2 5 2 32 372.557 2 ↓
Lo Low (pH 4.5-6) 1.74 11.89 -180.24 3 5 3 34 373.565 2 ↓

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Rings

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

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