UCSF

ZINC13641461

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 34 Yes

Popular Name: [3-(1,3-benzodioxol-5-yl)-6-methyl-isoxazolo[5,4-b]pyridin-4-yl]-[4-(2-pyridylmethyl)piperazin-1-yl] [3-(1,3-benzodioxol-5-yl)-6-meth…

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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) 1.85 4.95 -17.69 0 9 0 94 457.49 4 ↓
Mid Mid (pH 6-8) 1.85 5.34 -53.48 1 9 1 95 458.498 4 ↓
Lo Low (pH 4.5-6) 1.85 7.46 -146.08 2 9 2 96 459.506 4 ↓

Activity (Go SEA)

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