UCSF

ZINC31542954

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 19 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) -3.27 -5.05 -22.17 5 9 0 139 267.245 2
Hi High (pH 8-9.5) -2.81 -7.13 -57.91 4 9 -1 142 266.237 2
Mid Mid (pH 6-8) -3.27 -4.73 -62.55 6 9 1 141 268.253 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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