UCSF

ZINC39114403

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) 0.06 3.63 -87.21 3 3 2 24 185.315 2
Hi High (pH 8-9.5) 0.06 1.11 -36.37 2 3 1 23 184.307 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0899261A1; US6156752 IBM Patent Data
PUBCHEM_PATENT_ID US6156752 IBM Patent Data

Activity (Go SEA)

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