UCSF

ZINC71790835

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 16 Yes

Popular Name: 12-amino-8$l^{6}-thia-2,3,5,7-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,10,12-pentaene-8,8-dione 12-amino-8$l^{6}-thia-2,3,5,7-te…

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CAS Number: 1354951-25-9

Other Names:

MFCD20731202

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) -0.52 1.96 -45.39 2 7 -1 105 236.236 0 ↓
Lo Low (pH 4.5-6) -0.34 2.53 -23.98 3 7 0 106 237.244 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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