UCSF

ZINC35114623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 11 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) -0.99 -0.59 -36.5 3 3 1 45 160.237 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0666265A1; EP0666265B1; US5527786 IBM Patent Data

Activity (Go SEA)

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