UCSF

ZINC52509463

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 29 Yes

Popular Name: VX-770 VX-770

Find On: PubMed — Wikipedia — Google

CAS Numbers: 873054-44-5 , [873054-44-5]

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) 4.78 9.62 -15.78 3 5 0 82 392.499 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.00e-03 g/l DrugBank-approved
Target CFTR Selleck Chemicals
Indications cystic fibrosis KeyOrganics Bioactives

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Rings

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

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