UCSF

ZINC36636075

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 34 Yes

Popular Name: 2-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-(3-phenyl-2,1-benzo 2-[(5S)-4-methoxy-6-methyl-7,8-d…

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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) 4.87 10.48 -15.47 0 7 0 74 456.498 5 ↓
Mid Mid (pH 6-8) 4.87 12.33 -54.28 1 7 1 75 457.506 5 ↓

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Rings

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