UCSF

ZINC11726211

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2008 23 No

Popular Name: ALCAFTADINE ALCAFTADINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 147084-10-4 , [147084-10-4]

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) 2.32 10.56 -43.14 1 4 1 39 308.405 1 ↓
Mid Mid (pH 6-8) 2.32 10.91 -99.08 2 4 2 41 309.413 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.33e-01 g/l DrugBank-approved
PUBCHEM_PATENT_ID US5468743 IBM Patent Data

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

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