UCSF

ZINC67540455

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 29 Yes

Popular Name: (4-methylpiperazin-1-yl)-[5-[[5-(1H-pyrazol-5-yl)-2-furyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyra (4-methylpiperazin-1-yl)-[5-[[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) 0.69 5.82 -63.62 2 9 1 88 396.475 4 ↓
Hi High (pH 8-9.5) 0.69 3.57 -18.12 1 9 0 86 395.467 4 ↓
Mid Mid (pH 6-8) 0.69 8.16 -108.99 3 9 2 89 397.483 4 ↓

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

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