UCSF

ZINC01396884

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 31 Yes

Popular Name: 2-[(4-chlorobenzyl)sulfanyl]-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one 2-[(4-chlorobenzyl)sulfanyl]-8,9…

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CAS Number: 344262-99-3

Other Names:

MFCD00215053

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) 3.84 14.53 -11.2 0 6 0 63 447.951 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 128 - 130 KeyOrganics

Activity (Go SEA)

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

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