UCSF

ZINC07486121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 11 Yes

Popular Name: 2,6-Diaminopurine 2,6-Diaminopurine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1094-98-9 , 116295-72-8 , 1904-98-9 , 402846-48-4 , 69369-16-0 , [1904-98-9] , [402846-48-4] , [69369-16-0]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.04 1.37 -10.09 5 6 0 107 150.145 0 ↓
Lo Low (pH 4.5-6) 0.04 1.87 -30.99 6 6 1 108 151.153 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 302 Acros Organics
Purity 98% Fluorochem
Melting_Point ca 302? Alfa-Aesar
Melting_Point ca 302° Alfa-Aesar
PUBCHEM_PATENT_ID EP0719274A1; EP0821690A1; US5663159; WO1995007919A1; WO1996033200A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0754046A1; US5869468; US6060463; WO1995026734A1 IBM Patent Data
H phrase H351: Suspected of causing cancer Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
UniProt Database Links PBUE_BACAM; PBUE_BACSU ChEBI
R phrase R40: Limited evidence of a carcinogenic effect. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GUAD-1-E Guanine Deaminase (cluster #1 Of 1), Eukaryotic Eukaryotes 1880 0.73 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GUAD_HUMAN Q9Y2T3 Guanine Deaminase, Human 1880 0.73 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine catabolism

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

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