UCSF

ZINC53229452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 22 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) 2.26 5.86 -33.41 6 6 1 100 302.402 8
Mid Mid (pH 6-8) 2.26 5.71 -13.68 5 6 0 99 301.394 8
Mid Mid (pH 6-8) 2.26 5.72 -13.96 5 6 0 99 301.394 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1003540A1; EP1019360A1; WO1999064044A1; WO1999064055A1; WO1999066944A1; WO2000010526A2; WO2000064441A2; WO2000076500A2 IBM Patent Data

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

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