UCSF

ZINC49569376

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 Yes

Popular Name: 2-[[4-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]ace 2-[[4-[(1S,8R)-2,3,5,6,7,8-hexah…

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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) 1.31 9.26 -64.16 1 6 0 75 310.423 5 ↓
Hi High (pH 8-9.5) 1.31 6.74 -51.77 0 6 -1 74 309.415 5 ↓

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

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