UCSF

ZINC05784268

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 12 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) 2.65 0.32 -6.95 1 2 0 29 171.284 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0473948A3; US5298539 IBM Patent Data

Activity (Go SEA)

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