UCSF

ZINC37173601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 3.58 8.09 -52.23 0 3 -1 43 220.292 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5166403 IBM Patent Data

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Rings

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