UCSF

ZINC84462357

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2013 0 Yes

Popular Name: 3-Methyladenine 3-Methyladenine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5142-23-4 , [5142-23-4]

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

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.81e+00 g/l DrugBank-experimental
Mp [°C] 300 Acros Organics
UniProt Database Links 3MG1_ECOLI; 3MG2_ECOLI; 3MGA_BACSU; 3MGA_HAEIN; 3MGH_AERPE; 3MGH_AGRT5; 3MGH_ALKOO; 3MGH_ANAD2; 3MGH_ANADE; 3MGH_ANADF; 3MGH_ANASK; 3MGH_BACA2; 3MGH_BACAA; 3MGH_BACAC; 3MGH_BACAH; 3MGH_BACAN; 3MGH_BACC0; 3MGH_BACC1; 3MGH_BACC2; 3MGH_BACC3; 3MGH_BACC4; 3MG ChEBI
Purity 95% Fluorochem
Patent Database Links EP1422218 ChEBI
H phrase H302: Harmful if swallowed Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
Target PI3K Selleck Chemicals
R phrase R22: Harmful if swallowed. Acros Organics
Reactome Database Links REACT_924 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Cleavage of the damaged purine

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

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