UCSF

ZINC62152922

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 16 Yes

Popular Name: 9,9-Dimethyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline 9,9-Dimethyl-2,3,6,7,8,9-hexahyd…

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CAS Number: 1267409-40-4

Download: MOL2 SDF SMILES Flexibase

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) 1.94 4.72 -45.41 2 3 1 35 220.292 0 ↓
Mid Mid (pH 6-8) 1.94 3.31 -5.22 1 3 0 30 219.284 0 ↓

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

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