UCSF

ZINC02565787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 24 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) 2.27 -3.35 -13.61 1 5 0 63 359.216 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4002764; US4010177; US4020085; US4427590; US4444781; US4902794 IBM Patent Data

Activity (Go SEA)

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