UCSF

ZINC33824130

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 26 Yes

Popular Name: 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2); 4-(2-Chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2); LS-112169 1-Piperazineethanol, 4-(2-chloro…

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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) 3.89 6.18 -5.08 1 3 0 27 392.927 3 ↓
Mid Mid (pH 6-8) 3.89 8.51 -40.06 2 3 1 28 393.935 3 ↓
Mid Mid (pH 6-8) 3.89 7.61 -42.68 2 3 1 28 393.935 3 ↓

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