In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2005 | 49 | No |
Popular Name: Itraconazole Itraconazole
C35H38Cl2N8O4.H2O; LS-173332; hydroxyitraconazole
CPD000058959; ITRACONAZOLE; SAM001246679
CPD000058959; Itraconazolum [Latin]; SAM001246679; itraconazole
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) | 5.32 | -2.3 | -22.83 | 0 | 12 | 0 | 104 | 705.647 | 11 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02500i | NIH Clinical Collection via PubChem |
PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02500i | NIH Clinical Collection via PubChem |