UCSF

ZINC39247034

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 25 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) 2.64 9.18 -11.42 0 5 0 52 352.825 4
Mid Mid (pH 6-8) 2.64 9.99 -35.37 1 5 1 54 353.833 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4427590; US4902794 IBM Patent Data

Activity (Go SEA)

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