UCSF

ZINC39247651

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 20 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) 3.82 8.07 -9.84 0 3 0 43 290.384 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0912579A1; US6071928; WO1998001450A1 IBM Patent Data

Activity (Go SEA)

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