UCSF

ZINC08436334

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 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) 3.60 6.87 -10.59 1 3 0 42 274.121 1
Mid Mid (pH 6-8) 3.60 7.3 -28.3 2 3 1 43 275.129 1
Lo Low (pH 4.5-6) 3.60 7.15 -34.64 2 3 1 43 275.129 1
Lo Low (pH 4.5-6) 3.60 7.55 -96.45 3 3 2 44 276.137 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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