UCSF

ZINC59903668

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 25 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) 0.91 8.87 -55.81 0 9 -1 125 351.335 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0618809B1 IBM Patent Data

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

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