UCSF

ZINC04203765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 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) 1.06 3.41 -52.46 2 3 0 57 169.224 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1042329A1; WO1998029390A1; WO1999033834A1 IBM Patent Data

Activity (Go SEA)

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