UCSF

ZINC36996471

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 Yes

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

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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) 2.85 5.42 -36.06 3 4 1 46 356.284 4 ↓
Hi High (pH 8-9.5) 2.85 3.17 -5.83 2 4 0 45 355.276 4 ↓
Hi High (pH 8-9.5) 2.85 5.35 -60.39 2 4 0 52 355.276 4 ↓
Lo Low (pH 4.5-6) 2.85 6.69 -122.61 4 4 2 51 357.292 4 ↓

Activity (Go SEA)

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