UCSF

ZINC35454091

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 Yes

Popular Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyr [3,5-bis(trifluoromethyl)phenyl]…

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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) 3.10 12.55 -45.39 1 6 1 54 502.483 5 ↓
Mid Mid (pH 6-8) 3.10 12.95 -93.74 2 6 2 55 503.491 5 ↓
Mid Mid (pH 6-8) 3.10 10.31 -8.39 0 6 0 53 501.475 5 ↓

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