UCSF

ZINC02187161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 15 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) -0.41 0.1 -49.41 1 4 -1 77 223.229 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0844877A1; US5965559; US6090813; WO1996010022A1; WO1997006802A1 IBM Patent Data

Activity (Go SEA)

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