UCSF

ZINC34233793

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -4.26 7.41 -63.17 3 13 0 172 514.549 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4788185; US4864022; US4962100; US5409919 IBM Patent Data

Activity (Go SEA)

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