UCSF

ZINC49569249

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 No

Popular Name: 4-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 3.12 9.79 -48.25 1 4 0 35 306.46 2 ↓
Hi High (pH 8-9.5) 3.12 7.62 -46.58 0 4 -1 34 305.452 2 ↓
Lo Low (pH 4.5-6) 2.39 9.59 -36.87 2 4 1 38 307.468 2 ↓

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

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