UCSF

ZINC26897012

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 25 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) 5.06 11.59 -10.17 0 3 0 27 326.399 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0026088A2; EP0137218A1; US4349619; US4654283; US6156466 IBM Patent Data

Activity (Go SEA)

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