UCSF

ZINC39255800

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 10 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) 3.64 6.97 -1.71 0 0 0 0 154.278 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4980346 IBM Patent Data

Activity (Go SEA)

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