UCSF

ZINC39020427

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 18 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) 2.89 6.01 -8.05 1 3 0 38 239.274 2
Hi High (pH 8-9.5) 3.84 4.69 -47.27 1 3 -1 48 238.266 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6051593; US6114371; US6130238; WO1998050356A1; WO1999048868A2; WO1999061422A1; WO2000008202A2 IBM Patent Data

Activity (Go SEA)

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