UCSF

ZINC59847153

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 17 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) -1.98 -2.02 -49.95 1 6 -1 115 251.243 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0127893A2; EP0130488A2; EP0772089A3; US3953212; US4105450; US4576893; US4617250; US5763122; WO1997000464A1; WO2000001692A1; WO2000015184A1 IBM Patent Data

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

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