UCSF

ZINC60193216

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 11 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) 2.67 7.51 -31.23 1 1 1 4 154.277 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0670831A1; WO1995009159A1 IBM Patent Data

Activity (Go SEA)

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