UCSF

ZINC18617568

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2008 10 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) 1.50 3.81 -28.43 2 2 1 30 133.174 0
Hi High (pH 8-9.5) 1.50 3.38 -7.15 1 2 0 29 132.166 0

Vendor Notes

Note Type Comments Provided By
MP 122-127° Oakwood Chemical

Activity (Go SEA)

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

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