UCSF

ZINC59798304

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 20 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) 2.87 8.29 -13.63 1 3 0 34 290.794 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4968699 IBM Patent Data

Activity (Go SEA)

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