UCSF

ZINC20000321

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 28 No

Popular Name: (8S,8aR)-6-amino-8-(4-isopropoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile (8S,8aR)-6-amino-8-(4-isopropoxy…

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CAS Number: 459155-66-9

Other Names:

MFCD11983509

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) 3.16 6.35 -8.56 2 6 0 110 373.46 3 ↓
Lo Low (pH 4.5-6) 3.16 6.18 -50.11 3 6 1 111 374.468 3 ↓

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