UCSF

ZINC38280264

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 25 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) 3.14 9.84 -5.87 0 6 0 55 364.523 16

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0464511A2; EP0464511A3; US5225550; US5457091 IBM Patent Data

Activity (Go SEA)

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