UCSF

ZINC39122539

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 19 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) 3.29 6.57 -8.43 1 3 0 38 253.301 3
Hi High (pH 8-9.5) 4.24 5.27 -45.6 1 3 -1 48 252.293 3

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% )