UCSF

ZINC06585316

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 21 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) -0.72 0.38 -19.92 5 8 0 130 293.327 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5374625 IBM Patent Data

Activity (Go SEA)

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