UCSF

ZINC36270961

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 5.30 11.07 -48.56 1 4 1 43 380.899 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0604352A3; EP0604355A2; EP0604355A3; EP0604355B1; US5369113; US5374636; US5444070; US5554626 IBM Patent Data

Activity (Go SEA)

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