UCSF

ZINC35565139

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 32 No

Popular Name: 4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-2-carboxamide 4-(dimethylamino)-5,10,11,12a-te…

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CAS Number: 10592-13-9

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) -0.87 -2.59 -54 6 10 -1 184 443.432 2 ↓
Hi High (pH 8-9.5) -0.87 -1.59 -112.08 5 10 -2 187 442.424 2 ↓
Hi High (pH 8-9.5) -0.43 0.72 -132.07 6 10 -1 188 443.432 2 ↓
Hi High (pH 8-9.5) -0.43 -1.24 -138.81 5 10 -2 187 442.424 2 ↓
Hi High (pH 8-9.5) -1.61 -0.73 -67.82 6 10 -1 184 443.432 1 ↓
Mid Mid (pH 6-8) -0.87 -0.43 -57.12 7 10 0 186 444.44 2 ↓
Mid Mid (pH 6-8) -1.46 1.7 -76 6 10 0 182 444.44 2 ↓
Mid Mid (pH 6-8) -0.87 0.74 -133.03 6 10 -1 188 443.432 2 ↓
Mid Mid (pH 6-8) -0.87 -1.27 -141.37 5 10 -2 187 442.424 2 ↓

Vendor Notes

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

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

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