UCSF

ZINC69703039

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 Yes

Popular Name: 5,8-difluoro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine 5,8-difluoro-N-[(6R)-2-methyl-5,…

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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) 2.57 7.04 -12.87 1 5 0 56 315.327 2 ↓
Mid Mid (pH 6-8) 2.57 7.48 -36.95 2 5 1 57 316.335 2 ↓
Lo Low (pH 4.5-6) 2.57 7.92 -80.54 3 5 2 58 317.343 2 ↓

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

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