UCSF

ZINC05886063

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 11 No

Popular Name: 2-Mercapto-6-aminopurine; 2-Mercaptoadenine; 2-Thioadenine; 2H-Purine-2-thione, 6-amino-1,3-dihydro-; 6-Amino-2-mercaptopurine; 6-Aminopurine-2-thiol; AI3-52236; Isoguanine, thio-; LS-127159; NSC 52758; Purine-2-thiol, 6-amino- 2-Mercapto-6-aminopurine; 2-Merc…

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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) 0.95 1.8 -50.85 3 5 -1 80 166.189 0 ↓
Hi High (pH 8-9.5) -1.12 2.33 -39.26 3 5 -1 81 166.189 0 ↓
Hi High (pH 8-9.5) -1.12 2.34 -38.24 3 5 -1 81 166.189 0 ↓
Hi High (pH 8-9.5) 0.95 1.7 -60.12 3 5 -1 80 166.189 0 ↓
Mid Mid (pH 6-8) 0.22 2.08 -24 4 5 0 83 167.197 0 ↓
Mid Mid (pH 6-8) 0.22 2.11 -23.03 4 5 0 83 167.197 0 ↓
Mid Mid (pH 6-8) 0.22 2.04 -34.14 4 5 0 83 167.197 0 ↓

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

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