UCSF

ZINC85534098

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2013 52 No

Popular Name: Clarithromycin Clarithromycin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 135326-55-5 , 81103-11-9

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) 2.90 6.33 -44.52 5 14 1 184 748.972 8 ↓
Hi High (pH 8-9.5) 2.90 3.9 -17.75 4 14 0 183 747.964 8 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 5.383 Bitter DB
ALOGPS_SOLUBILITY 2.17e-01 g/l DrugBank-approved
UniProt Database Links ALDH_DAVTA; CCR4_HUMAN; CLAH7_DAVTA; DESVI_STRVZ; ENO_DAVTA; HSP70_DAVTA; HYP1_DAVTA; NTF2_DAVTA; RLA1_DAVTA; RLA2_DAVTA; SCRB1_HUMAN ChEBI
biological_use Antibacterial agent IBScreen Bioactives IBScreen Bioactives
mechanism Inhibitor of the translation of bacterial peptides IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP03660c NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP03660c NIH Clinical Collection via PubChem
biological_use Shows superior pharmacokinetic props. to erythromycin and about twice the activity, with a similar spectrum of activity IBScreen Bioactives

Activity (Go SEA)

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

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