UCSF

ZINC21645855

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 35 Yes

Popular Name: 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]-N-[2-(4-methylpiperazin-1- 4-[2-(1-methylindol-3-yl)-5-oxo-…

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Download: MOL2 SDF SMILES Flexibase

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) 0.86 10.34 -57.96 2 9 1 80 478.621 8 ↓
Mid Mid (pH 6-8) 0.86 10.22 -59.16 2 9 1 80 478.621 8 ↓
Mid Mid (pH 6-8) 0.86 7.88 -25.44 1 9 0 79 477.613 8 ↓

Activity (Go SEA)

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