UCSF

ZINC34641528

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 27 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) 3.34 11.18 -52.94 1 5 0 57 388.895 8
Mid Mid (pH 6-8) 3.34 11.1 -65.06 1 5 0 57 388.895 8
Mid Mid (pH 6-8) 3.34 8.86 -49.03 0 5 -1 56 387.887 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6046332; WO1998002425A1 IBM Patent Data

Activity (Go SEA)

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