UCSF

ZINC21986530

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 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) -1.70 -8.23 -50.4 8 8 0 153 243.219 4
Hi High (pH 8-9.5) -1.70 -7.47 -82.17 7 8 -1 155 242.211 4
Lo Low (pH 4.5-6) -1.70 -9.01 -72.81 9 8 1 150 244.227 4

Vendor Notes

Note Type Comments Provided By
Purity 99% APIChem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.