UCSF

ZINC34223005

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 11 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) 3.68 6.29 -3.81 0 1 0 17 215.507 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4988734 IBM Patent Data

Activity (Go SEA)

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