UCSF

ZINC04097957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 24 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) -0.99 -10.19 -17.76 5 9 0 149 340.284 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0654479A2; EP0654479A3; EP0654479B1; EP0719770A1; US5731293; US5736522 IBM Patent Data

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