UCSF

ZINC26545023

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 13 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) 2.09 8.35 -13.65 0 2 0 34 182.263 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0150710A2; US4533673 IBM Patent Data

Activity (Go SEA)

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