UCSF

ZINC04659051

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2005 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) 4.50 2.24 -9.21 0 5 0 64 363.841 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3956341; US4302591 IBM Patent Data

Activity (Go SEA)

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