UCSF

ZINC32006003

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 12 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) 2.00 4.38 -5.94 1 2 0 29 161.204 1
Hi High (pH 8-9.5) 2.96 3.08 -45.01 1 2 -1 39 160.196 1

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% )