UCSF

ZINC04686985

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 17 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) -2.30 -9.9 -15.34 4 9 0 137 245.191 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0586523A1; US3954752; US5213972; US5728684; WO1992020816A1 IBM Patent Data

Activity (Go SEA)

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