UCSF

ZINC06091575

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 17 Yes

Popular Name: Cytidine Cytidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 147-94-4 , 3530-56-1 , 65-46-3 , [65-46-3]

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) -1.93 -11.35 -22.74 5 8 0 130 243.219 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% APIChem
Melting_Point ca 215? dec. Alfa-Aesar
Melting_Point ca 215° dec. Alfa-Aesar
PUBCHEM_PATENT_ID EP0339075A1; EP0339075B1; EP0360626A1; EP0934331A2; US4963469; US5190926; US5470838; US5583117; US5677441; US5747319; US5756704; US5916556; WO1989003837A1; WO1998004714A1; WO1998006877A2; WO1998008856A2 IBM Patent Data
PUBCHEM_PATENT_ID EP0747389A1; US5763418 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 80 0.58 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 80 0.58 Functional ≤ 10μM

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