UCSF

ZINC05161805

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 16 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) 2.16 1.44 -12.8 2 3 0 53 211.22 0
Lo Low (pH 4.5-6) 2.16 1.82 -28.93 3 3 1 55 212.228 0

Vendor Notes

Note Type Comments Provided By
mp 141 - 145 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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