UCSF

ZINC39252265

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 10 No

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) 2.82 4.9 -8.21 1 1 0 12 171.652 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0337819A1; US4352928; US4933355 IBM Patent Data

Activity (Go SEA)

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