UCSF

ZINC37078961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 10 Yes

Other Names:

MFCD17014287

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) 0.54 1.83 -37.19 2 2 1 20 143.254 2
Lo Low (pH 4.5-6) 0.54 4.12 -95.61 3 2 2 21 144.262 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0645390A1; US5618814 IBM Patent Data

Activity (Go SEA)

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