UCSF

ZINC37292748

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S,8aS)-N-[1-(2,2,2-trifluoroethyl)-4-piperidyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aS)-N-[1-(2,2,2-trifluoroet…

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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) 2.49 5.84 -31.67 2 3 1 20 306.396 4 ↓
Hi High (pH 8-9.5) 2.49 3.59 -3.57 1 3 0 19 305.388 4 ↓
Mid Mid (pH 6-8) 2.49 7.95 -83.46 3 3 2 21 307.404 4 ↓
Lo Low (pH 4.5-6) 2.49 7.07 -112.89 3 3 2 24 307.404 4 ↓

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Rings

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

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