UCSF

ZINC44830109

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 25 No

Other Names:

Abacavirsulfate

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) -1.10 4.69 -56.44 3 10 -1 148 365.395 6
Lo Low (pH 4.5-6) -1.10 5.08 -46.64 4 10 0 149 366.403 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998052949A1 IBM Patent Data

Activity (Go SEA)

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

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