UCSF

ZINC36996776

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Substance Information

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

Popular Name: (1R,8aR)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-am (1R,8aR)-N-[(1S,5R)-8-methyl-8-a…

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Download: MOL2 SDF SMILES Flexibase

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) 1.94 9.13 -78.91 3 3 2 21 265.445 2 ↓
Hi High (pH 8-9.5) 1.94 6.87 -29.81 2 3 1 20 264.437 2 ↓
Mid Mid (pH 6-8) 1.94 6.87 -98.35 3 3 2 24 265.445 2 ↓
Lo Low (pH 4.5-6) 1.94 9.13 -186.11 4 3 3 25 266.453 2 ↓

Activity (Go SEA)

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