UCSF

ZINC55161632

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 4.21 7.47 -4.58 0 1 0 9 172.227 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0362603A1; EP0362603B1; EP0365917A1; EP0365917B1 IBM Patent Data

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

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