UCSF

ZINC39050639

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 10 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) 0.13 2.51 -8.04 0 3 0 33 136.154 1
Lo Low (pH 4.5-6) 0.13 2.97 -41.06 1 3 1 34 137.162 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6004982; WO1998034933A1 IBM Patent Data

Activity (Go SEA)

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