UCSF

ZINC21645744

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 37 Yes

Popular Name: 2-(1-methylindol-3-yl)-4-[4-oxo-4-[4-(2-pyridyl)piperazin-1-yl]butyl]-6,7-dihydropyrazolo[1,5-a]pyri 2-(1-methylindol-3-yl)-4-[4-oxo-…

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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) 1.87 13.4 -55.09 1 9 1 81 498.611 6 ↓
Mid Mid (pH 6-8) 1.87 13.13 -26.86 0 9 0 80 497.603 6 ↓

Activity (Go SEA)

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