UCSF

ZINC12153073

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2008 32 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) 0.13 -13.25 -17.23 7 11 0 190 448.38 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0577143A2; EP0577143A3; EP0577143B1; EP0633022A2; EP0633022B1; EP0742012A2; EP0914139A2; US4808574; US5466452; US5650433; US5989556; WO1997023233A1; WO1998001144A1; WO1999051251A1 IBM Patent Data

Activity (Go SEA)

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