UCSF

ZINC38583212

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 12 Yes

Popular Name: (3AR,4S,6R,6AS)-6-AMINO-2,2-DIMETHYLTETRAHYDRO-3AH-CYCLOPENTA[D][1,3]DIOXOL-4-OL (3AR,4S,6R,6AS)-6-AMINO-2,2-DIME…

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CAS Numbers: 155899-66-4 , 220329-21-5 , [155899-66-4]

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) -0.74 -2.37 -49.37 4 4 1 66 174.22 0 ↓
Hi High (pH 8-9.5) -0.74 -2.65 -5.18 3 4 0 65 173.212 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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