UCSF

ZINC36217794

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 Yes

Popular Name: [(3S,5S)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]-[1-methyl-5-(p-tolyl)pyrazol-3-yl]met [(3S,5S)-4-(2-dimethylaminoethyl…

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Vendors

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) 2.77 9.51 -45.05 1 6 1 46 384.548 5 ↓
Hi High (pH 8-9.5) 2.77 7.05 -9.73 0 6 0 45 383.54 5 ↓
Lo Low (pH 4.5-6) 2.77 11.53 -116.31 2 6 2 47 385.556 5 ↓

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