UCSF

ZINC67172591

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 17 No

Popular Name: 3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione 3-phenyl-1,4,8-triazaspiro[4.5]d…

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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) 1.83 3.33 -52.64 3 3 1 43 246.359 1 ↓
Hi High (pH 8-9.5) 1.83 2.01 -6.18 2 3 0 38 245.351 1 ↓

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

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