UCSF

ZINC04963371

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 19 No

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) 0.64 -0.95 -10.51 4 8 0 119 269.236 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0715523A1; US6017896; WO1995007718A2 IBM Patent Data

Activity (Go SEA)

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