UCSF

ZINC43900256

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 Yes

Popular Name: (3S,4R)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-tetrahydropyran-4-amine (3S,4R)-3-[(4aR,8aS)-3,4,4a,5,6,…

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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) 2.39 6.71 -108.21 3 3 2 30 254.418 2 ↓
Hi High (pH 8-9.5) 2.39 3.3 -1.16 1 3 0 24 252.402 2 ↓
Mid Mid (pH 6-8) 2.39 4.79 -30.03 2 3 1 26 253.41 2 ↓

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