UCSF

ZINC34676320

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 Yes

Popular Name: N-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-4-oxo-5-(p-tolylmethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1 N-[3-(4-methylpiperazin-1-yl)-3-…

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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) 0.99 6.21 -23.05 1 9 0 91 452.559 6 ↓
Mid Mid (pH 6-8) 0.99 8.57 -61.18 2 9 1 92 453.567 6 ↓

Activity (Go SEA)

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