UCSF

ZINC40449035

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 9 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) 1.05 2.09 -35.26 2 2 1 26 130.211 1
Hi High (pH 8-9.5) 1.05 1.08 -2 1 2 0 21 129.203 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0993457A1; WO1998057954A1 IBM Patent Data
PUBCHEM_PATENT_ID US4424202; US4440781 IBM Patent Data

Activity (Go SEA)

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