UCSF

ZINC04081878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 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) 2.14 6.34 -12.07 1 3 0 54 302.414 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0133995A2; EP0133995B1; EP0423842A3; US4898694; US5001119; US5028631; US5714481; US5804576 IBM Patent Data

Activity (Go SEA)

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