UCSF

ZINC00158336

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 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) 0.56 1.78 -7.15 2 2 0 43 139.198 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0024664A1; EP0557519A1; EP0557519B1; US4459225; US5124462; WO1991005765A1; WO2000031038A1 IBM Patent Data
PUBCHEM_PATENT_ID US4282167; US5319133; WO1994024095A1; WO2000002891A1 IBM Patent Data

Activity (Go SEA)

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