UCSF

ZINC33790863

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 10 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) -0.31 -2.19 -5.14 4 3 0 66 139.154 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4705864; US4740611; WO2000018761A1; WO2000023041A1 IBM Patent Data

Activity (Go SEA)

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