UCSF

ZINC12416678

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 12 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) 1.44 3.29 -34.16 1 3 1 34 169.248 1
Ref Reference (pH 7) 1.25 2.56 -39.93 2 3 1 37 169.248 0
Hi High (pH 8-9.5) 1.40 5.17 -42.73 2 6 -1 90 279.316 6
Hi High (pH 8-9.5) 1.25 0.43 -3.97 1 3 0 36 168.24 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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