UCSF

ZINC39648563

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 14 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) 1.06 6.18 -38.79 2 4 1 46 193.274 1
Hi High (pH 8-9.5) 1.06 5.01 -5.75 1 4 0 41 192.266 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0914321A1; WO1998001443A1 IBM Patent Data

Activity (Go SEA)

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