| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2005 | 42 | No |
Popular Name: Bevirimat Bevirimat
Find On: PubMed — Wikipedia — Google
CAS Numbers: 174022-42-5 , 823821-85-8
3-O-(3',3'-dimethylsuccinyl) betulinic acid; BVM; PA-457
823821-85-8; Bevirimat dimeglumine (USAN); D06564
Bevirimat (INN); Bevirimat Dimeglumine (USAN)
PA-457; DSB*2NMG; PA-457 DI-NMG; PA-457N; PA-103001; PA103001-01; PA103001-04
| 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) | 7.90 | 5.83 | -100.58 | 0 | 6 | -2 | 106 | 582.822 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-8-O | Human Immunodeficiency Virus 1 (cluster #8 Of 10), Other | Other | 96 | 0.23 | Functional ≤ 10μM |
| Z50677-1-O | Human Immunodeficiency Virus (cluster #1 Of 3), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80295-1-O | MT4 (Lymphocytes) (cluster #1 Of 8), Other | Other | 96 | 0.23 | Functional ≤ 10μM |
| Z80897-2-O | H9 (T-lymphoid Cells) (cluster #2 Of 2), Other | Other | 7000 | 0.17 | Functional ≤ 10μM |
| Z80897-2-O | H9 (T-lymphoid Cells) (cluster #2 Of 2), Other | Other | 3500 | 0.18 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80897 | Z80897 | H9 (T-lymphoid Cells) | 0.35 | 0.32 | Functional ≤ 10μM |
| Z50677 | Z50677 | Human Immunodeficiency Virus | 0.35 | 0.32 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 0.1 | 0.33 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 430 | 0.21 | Functional ≤ 10μM |
| Z80897 | Z80897 | H9 (T-lymphoid Cells) | 0.35 | 0.32 | ADME/T ≤ 10μM |
