UCSF

ZINC62955382

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 No

Popular Name: 5-(8-azaspiro[4.5]decan-8-yl)-4-isopropyl-1,2,4-triazole-3-thiol 5-(8-azaspiro[4.5]decan-8-yl)-4-…

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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) 2.49 10.75 -8.65 1 4 0 37 280.441 2 ↓
Mid Mid (pH 6-8) 3.22 11.07 -43.25 0 4 -1 34 279.433 2 ↓

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

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