UCSF

ZINC39039792

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 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) 1.92 5.43 -8.48 1 3 0 47 208.257 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0679265A1; EP0679265B1; US5516620; US5620827 IBM Patent Data

Activity (Go SEA)

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