UCSF

ZINC71789505

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 11 No

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) 1.21 4.1 -5.46 2 2 0 43 193.337 5
Lo Low (pH 4.5-6) 1.59 3.31 -18.23 3 2 0 51 193.337 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0912195A1 IBM Patent Data

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

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