UCSF

ZINC49565348

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 Yes

Popular Name: (1S,8aR)-N-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(5-chloro-1-methyl-i…

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Vendors

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) 1.50 7.37 -117.23 3 4 2 39 270.808 3 ↓
Hi High (pH 8-9.5) 1.50 3.96 -5.79 1 4 0 33 268.792 3 ↓
Mid Mid (pH 6-8) 1.50 6.22 -38.31 2 4 1 34 269.8 3 ↓
Lo Low (pH 4.5-6) 1.50 6.69 -82.52 3 4 2 36 270.808 3 ↓

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

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