UCSF

ZINC49569333

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 No

Popular Name: 4-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-[(1S,8R)-2,3,5,6,7,8-hexahydro…

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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) 2.61 8.79 -46.65 1 4 0 35 292.433 2 ↓
Hi High (pH 8-9.5) 2.61 6.28 -48.72 0 4 -1 34 291.425 2 ↓
Lo Low (pH 4.5-6) 1.88 8.59 -35.99 2 4 1 38 293.441 2 ↓

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

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