UCSF

ZINC00301115

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 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) 2.14 2.96 -37.66 1 3 1 30 194.254 5

Vendor Notes

Note Type Comments Provided By
mp 148.5 - 150 MolMall (formerly Molecular Diversity Preservation International)
BP 159 / 20 TCI

Activity (Go SEA)

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