UCSF

ZINC38222049

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 17 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) 1.72 3.54 -12.85 1 3 0 41 245.2 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0863872A1; US5710283; WO1997019920A1 IBM Patent Data

Activity (Go SEA)

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