UCSF

ZINC04039589

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 28 Yes

Popular Name: 3-(3,4-dichlorophenyl)-5-(4-methylpiperazino)[1,2,4]triazolo[4,3-c]quinazoline 3-(3,4-dichlorophenyl)-5-(4-meth…

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CAS Number: 400075-16-3

Other Names:

MFCD01936054

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) 4.88 2.34 -45.06 1 6 1 50 414.32 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 202 - 205 KeyOrganics

Activity (Go SEA)

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