UCSF

ZINC21992937

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 2.43 5.66 -48.42 1 3 -1 60 221.276 7
Lo Low (pH 4.5-6) 2.43 4.54 -10.64 2 3 0 58 222.284 7

Vendor Notes

Note Type Comments Provided By
Purity 98% APIChem

Activity (Go SEA)

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