UCSF

ZINC01099945

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 14 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) -1.51 9.3 -29.19 0 1 1 4 184.262 2

Vendor Notes

Note Type Comments Provided By
mp 57.5 - 58.5 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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