UCSF

ZINC03812908

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 25 Yes

Popular Name: Roxatidine Acetate Hydrochloride Roxatidine Acetate Hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 78628-28-1 , 93793-83-0 , 98793-83-0 , [78628-28-1] , [93793-83-0]

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) 2.13 9.41 -43.56 2 6 1 69 349.451 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.12e-02 g/l DrugBank-approved
Therapy antiulcer SMDC Pharmakon
Target Histamine Receptor Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01326r; 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01326r; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.