UCSF

ZINC28108001

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 23 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) 4.11 10.61 -45.33 3 3 1 34 328.867 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% )