UCSF

ZINC03798734

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 24 Yes

Popular Name: Acitretin Acitretin

Find On: PubMed — Wikipedia — Google

CAS Number: 55079-83-9

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) 5.57 11.02 -56.86 0 3 -1 49 325.428 6 ↓
Lo Low (pH 4.5-6) 5.57 10.44 -8.6 1 3 0 47 326.436 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.78e-04 g/l DrugBank-approved
biological_use Active against epithelial tumours IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-7044; NCC_SUPPLIER_SAMPLE_COMMENTS : GREENISH-YELLOW CRYSTALLINE POWDER NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
Target Retinoid Receptor Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-7044; SUPPLIER_COMMENTS: GREENISH-YELLOW CRYSTALLINE POWDER NIH Clinical Collection via PubChem
mechanism Second generation retinoid IBScreen Bioactives
biological_use Used for treatment of psoriasis, antineoplastic agent IBScreen Bioactives ZereneX Building Blocks IBScreen Bioactives

Activity (Go SEA)

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