UCSF

ZINC31484307

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 9 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) 1.97 4.65 -4.5 0 1 0 13 121.183 0
Mid Mid (pH 6-8) 1.97 5.05 -27.86 1 1 1 14 122.191 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1005493A1; WO1998045330A1 IBM Patent Data

Activity (Go SEA)

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