UCSF

ZINC04343438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 10 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) 1.75 3.55 -41.55 3 1 1 28 142.266 0

Vendor Notes

Note Type Comments Provided By
BP 177 TCI
PUBCHEM_PATENT_ID EP0897382A1; EP0897382B1; US5855629 IBM Patent Data

Activity (Go SEA)

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