UCSF

ZINC78972314

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2012 7 No

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 0.65 3.51 -32.94 1 2 1 17 119.575 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0379398A2; EP0379398B1; WO2000066563A1 IBM Patent Data

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

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