UCSF

ZINC34395412

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 35 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) 5.22 12.55 -58.6 3 6 1 96 475.609 13
Hi High (pH 8-9.5) 5.22 11.36 -17.44 2 6 0 92 474.601 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999051569A1 IBM Patent Data

Activity (Go SEA)

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