| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2008 | 18 | Yes |
Popular Name: Gemzar Gemzar
Find On: PubMed — Wikipedia — Google
CAS Numbers: 122111-03-9 , 122111-05-1 , 95058-81-4
4-Amino-1- -2 -pyrimidinoneHydrochloride
4-Amino-1-((4R,5R)-3,3-difluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one
| 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) | -1.60 | -5.41 | -18.66 | 4 | 7 | 0 | 111 | 263.2 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antimetabolite | IBScreen Bioactives |
| biological_use | Antineoplastic agent | IBScreen Bioactives ZereneX Building Blocks |
| biological_use | Antineoplastic agent for treatment of lung and pancreatic tumours | IBScreen Bioactives |
| biological_use | Antineoplastic agent | IBScreen Bioactives |
| biological_use | Antiviral agent | IBScreen Bioactives |
| mechanism | Nucleoside antimetabolite | ZereneX Building Blocks |
| biological_use | Nucleoside transporter substrate | IBScreen Bioactives |
