UCSF

ZINC39252153

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 22 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) 4.98 11.07 -38.76 3 1 1 28 288.414 5
Hi High (pH 8-9.5) 4.98 10.84 -2.77 2 1 0 26 287.406 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0906115A1; US6015789 IBM Patent Data

Activity (Go SEA)

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