UCSF

ZINC38601496

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) -2.79 -9.33 -18.08 8 11 0 191 449.388 4
Hi High (pH 8-9.5) -2.79 -8.57 -31.86 7 11 0 194 448.38 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0496349B1; EP0742012A2; US5241022; US5883137; US5965625; US6143443; US6146837; WO1996009042A1; WO1996035239A1; WO1998009647A2; WO1999011257A1 IBM Patent Data

Activity (Go SEA)

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