UCSF

ZINC03843070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 23 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) 2.90 -2.15 -11.39 2 5 0 71 311.337 4
Lo Low (pH 4.5-6) 2.90 -2.09 -41.4 3 5 1 73 312.345 4

Vendor Notes

Note Type Comments Provided By
mp 207 - 210 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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