UCSF

ZINC34590984

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 22 Yes

Popular Name: (4aR,8aR)-6-(2-dimethylaminoethyl)-3-ethyl-2-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquin (4aR,8aR)-6-(2-dimethylaminoethy…

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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) 2.58 7.7 -41.69 2 4 1 41 304.458 4 ↓
Hi High (pH 8-9.5) 2.58 5.21 -10.56 1 4 0 39 303.45 4 ↓
Mid Mid (pH 6-8) 2.58 7.46 -42.09 2 4 1 41 304.458 4 ↓
Lo Low (pH 4.5-6) 2.58 9.94 -116.9 3 4 2 42 305.466 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4260762; US4349678; US4442291 IBM Patent Data

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