UCSF

ZINC60023158

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 33 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) 4.20 10.89 -10.34 2 6 0 82 462.571 10
Mid Mid (pH 6-8) 4.20 11.3 -49.04 3 6 1 83 463.579 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4144232; US4203896 IBM Patent Data

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

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