UCSF

ZINC39297669

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 19 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) 3.33 7.08 -10.51 1 3 0 42 254.333 3
Lo Low (pH 4.5-6) 3.33 7.54 -39.37 2 3 1 43 255.341 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4317827; US4377585 IBM Patent Data

Activity (Go SEA)

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