UCSF

ZINC34424780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 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) 1.90 3.79 -9.11 1 2 0 37 178.231 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0357372A2; EP0357372B1; EP0395697A1; US4920133; US5051427; US5124070; US5264151; US5385693 IBM Patent Data

Activity (Go SEA)

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