UCSF

ZINC20587856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 15 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) -0.49 3.77 -65.79 1 7 0 88 231.281 6
Mid Mid (pH 6-8) -0.49 1.24 -41.15 0 7 -1 87 230.273 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4914206 IBM Patent Data

Activity (Go SEA)

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