UCSF

ZINC38420086

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 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) 4.96 10.15 -26.11 1 1 1 4 264.458 2
Hi High (pH 8-9.5) 4.96 8.83 -1.09 0 1 0 3 263.45 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0986555A1; WO1998055478A1 IBM Patent Data

Activity (Go SEA)

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