UCSF

ZINC01383343

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 27 Yes

Popular Name: (4-methylpiperazino)[3-(2-thienyl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methanone (4-methylpiperazino)[3-(2-thieny…

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CAS Number: 477845-20-8

Other Names:

MFCD01314980

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.96 0.7 -49.97 1 4 1 37 412.482 3 ↓
Lo Low (pH 4.5-6) 3.96 0.8 -89.3 2 4 2 38 413.49 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 114 - 116 KeyOrganics

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.