UCSF

ZINC33964021

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 24 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) 2.93 7.78 -10.28 1 3 0 54 328.452 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5710293; WO1997013779A1 IBM Patent Data

Activity (Go SEA)

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