UCSF

ZINC41200036

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 13 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) 2.39 5.84 -43.16 3 1 1 28 178.299 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4845272 IBM Patent Data

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Rings

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