| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2013 | 57 | No |
Popular Name: Tacrolimus Tacrolimus
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104987-11-3 , 109581-93-3
(-)-FK 506; tacrolimus; tacrolimus anhydrous
104987-11-3; C01375; FK 506; FK506; Tacrolimus
104987-11-3; D08556; Prograf (TN); Tacrolimus (INN)
109581-93-3; D00107; Prograf (TN); Protopic (TN); Tacrolimus (USAN/INN); Tacrolimus hydrate (JP16)
| 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) | 4.26 | 13.03 | -16.24 | 3 | 13 | 0 | 178 | 804.031 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.26 | 13.8 | -65.78 | 2 | 13 | -1 | 181 | 803.023 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.26 | 14.86 | -79.96 | 2 | 13 | -1 | 181 | 803.023 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.26 | 13.67 | -63.96 | 2 | 13 | -1 | 181 | 803.023 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.02e-03 g/l | DrugBank-approved |
| UniProt Database Links | CYPH_BETPN; ESS1_YEAST; FIP37_ARATH; FK151_ARATH; FK152_ARATH; FK153_ARATH; FK161_ARATH; FK162_ARATH; FK163_ARATH; FK164_ARATH; FK171_ARATH; FK172_ARATH; FK173_ARATH; FK201_ARATH; FK202_ARATH; FKB10_BOVIN; FKB10_HUMAN; FKB10_MOUSE; FKB11_BOVIN; FKB11_HUMA | ChEBI |
| Indications | immunosuppressive | KeyOrganics Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP00750t | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP00750t | NIH Clinical Collection via PubChem |
No pre-computed analogs available. Try a structural similarity search.