UCSF

ZINC28100437

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 22 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) 3.52 8.29 -51.29 4 3 1 46 314.84 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4209625; US4307235; US4345081; US4379932; US4379933; US4408050; US4477667 IBM Patent Data

Activity (Go SEA)

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