UCSF

ZINC16951755

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 16 No

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) 2.93 7.58 -4.67 0 4 0 53 228.288 6

Vendor Notes

Note Type Comments Provided By
mp 67 - 69 MolMall (formerly Molecular Diversity Preservation International)
bp 98 - 100 (p=4 torr) MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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