UCSF

ZINC39260453

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 17 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) 0.29 7.03 -11.13 0 5 0 66 237.255 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0539343B1; EP0792878A2; EP0792878A3; US5908863 IBM Patent Data

Activity (Go SEA)

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