UCSF

ZINC03063782

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 27 Yes

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

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CAS Number: 129177-24-8

Other Names:

MFCD00141533

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) 4.28 2.01 -51.72 1 6 1 50 379.875 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 249 - 253 KeyOrganics

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