UCSF

ZINC33825161

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 38 Yes

Popular Name: 4-Phenylpiperazineethanol o-(8-trifluoromethyl-4-quinolylamino)benzoate; BRN 0634373; LS-112540; Piperazineethanol, 4-phenyl-, N-(8-trifluoromethyl-4-quinolyl)anthranilate 4-Phenylpiperazineethanol o-(8-t…

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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) 6.93 13.39 -14.11 1 6 0 58 520.555 9 ↓
Mid Mid (pH 6-8) 6.93 15.55 -50.57 2 6 1 59 521.563 9 ↓
Lo Low (pH 4.5-6) 6.93 15.94 -86.9 3 6 2 60 522.571 9 ↓

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