UCSF

ZINC36996594

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 Yes

Popular Name: 4-[[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]methyl]benzonitrile 4-[[[(1R,8aR)-1,2,3,5,6,7,8,8a-o…

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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) 2.30 8.04 -36.71 2 3 1 40 256.373 3 ↓
Mid Mid (pH 6-8) 2.30 7.06 -50.33 2 3 1 44 256.373 3 ↓
Lo Low (pH 4.5-6) 2.30 9.31 -126.92 3 3 2 45 257.381 3 ↓

Activity (Go SEA)

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