UCSF

ZINC43650070

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 11 Yes

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) 3.21 6.5 -4.71 0 1 0 17 154.253 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0915853A1; EP0931072A1; EP0944623A2; EP0998472A1; US6054412; US6054413; WO1998005649A1; WO1998012182A1; WO1998027090A2; WO1998038169A1; WO1999006394A1; WO1999055702A1 IBM Patent Data

Activity (Go SEA)

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