UCSF

ZINC02166858

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 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) 2.34 0.18 -3.73 0 1 0 9 154.234 3

Vendor Notes

Note Type Comments Provided By
mp 165 - 166 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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