UCSF

ZINC39368302

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 28 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) -2.17 13.19 -109.36 0 8 -2 121 466.628 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4347371; US4410542 IBM Patent Data

Activity (Go SEA)

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