UCSF

ZINC39339082

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 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) 3.00 8.23 -18.95 2 8 0 108 468.531 9
Lo Low (pH 4.5-6) 3.00 9.09 -63.04 3 8 1 110 469.539 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4125611; US4226863; US4234578; US4298605; US4301161; US4328224; US4341776 IBM Patent Data

Activity (Go SEA)

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