UCSF

ZINC34575190

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) -0.85 -3.85 -14.84 6 10 0 155 282.26 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0948511A2; EP0980424A2; US6127535; US6159951; WO1998028317A2; WO1998050530A2; WO1999055857A2 IBM Patent Data

Activity (Go SEA)

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