UCSF

ZINC05821070

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 12 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) -0.56 8.81 -26.45 0 1 1 0 172.336 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0655992A1; EP0655992B1; EP0791570A1; US5942641; WO1995000468A1 IBM Patent Data

Activity (Go SEA)

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