UCSF

ZINC12955443

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 18 Yes

Popular Name: 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methylpiperazine 1-[3-Chloro-5-(trifluoromethyl)p…

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CAS Number: 914637-57-3

Download: MOL2 SDF SMILES Flexibase

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) 2.62 5.12 -41.08 2 3 1 33 280.701 2 ↓
Hi High (pH 8-9.5) 2.62 3.79 -3.11 1 3 0 28 279.693 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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