UCSF

ZINC41669398

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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 7.22 -44.37 0 2 -1 40 216.043 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0001997A1; US4302484 IBM Patent Data

Activity (Go SEA)

Rings

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