UCSF

ZINC79474597

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2012 17 Yes

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) 6.01 10.91 -2.66 0 0 0 0 222.331 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0717098A2; EP0717098A3; US5711895; US5817251 IBM Patent Data

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

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