UCSF

ZINC39339854

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 23 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) 0.56 8.89 -43.24 0 5 -1 64 353.489 5
Lo Low (pH 4.5-6) 0.56 9.64 -48.47 1 5 0 65 354.497 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4347371 IBM Patent Data

Activity (Go SEA)

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