UCSF

ZINC39291469

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 9 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) 0.92 -0.77 -35.97 4 2 1 48 130.211 0
Hi High (pH 8-9.5) 0.92 -0.58 -2.16 3 2 0 46 129.203 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0538332A1; EP0538332B1; US5393755 IBM Patent Data

Activity (Go SEA)

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