UCSF

ZINC39249488

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 11 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) 1.51 3.59 -6.21 1 2 0 29 147.177 0
Hi High (pH 8-9.5) 2.46 2.29 -45.08 1 2 -1 39 146.169 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0929520A1; US6051593; US6114371; US6130238; US6147106; WO1998007695A1; WO1998050356A1; WO1999048868A2; WO1999061422A1; WO2000008202A2; WO2000056709A1; WO2000066167A1; WO2000066556A1 IBM Patent Data

Activity (Go SEA)

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