UCSF

ZINC55119235

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 Yes

Popular Name: 8-(7-isopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en- 8-(7-isopropyl-[1,2,4]triazolo[1…

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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) 0.74 7.62 -19.5 1 9 0 105 355.402 2 ↓
Lo Low (pH 4.5-6) 0.74 8.73 -43.77 2 9 1 106 356.41 2 ↓

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

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