UCSF

ZINC37292747

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 Yes

Popular Name: (1S,8aR)-N-[[4-(2-thienyl)-2-thienyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[[4-(2-thienyl)-2-thi…

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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) 3.95 9.31 -33.69 2 2 1 16 319.519 4 ↓
Lo Low (pH 4.5-6) 3.95 8.2 -42.12 2 2 1 20 319.519 4 ↓
Lo Low (pH 4.5-6) 3.95 10.46 -113.25 3 2 2 21 320.527 4 ↓

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