UCSF

ZINC22714447

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 30 No

Popular Name: 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(5-methyl-1,3,4-thiadiaz 2-[3-[(4-fluorophenyl)methyl]-2,…

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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) 0.83 4.6 -23.18 2 9 0 108 432.481 5 ↓
Hi High (pH 8-9.5) 0.28 4.33 -55.18 1 9 -1 121 431.473 5 ↓
Mid Mid (pH 6-8) 0.83 6.76 -65.83 3 9 1 109 433.489 5 ↓

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

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