UCSF

ZINC35881879

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 11 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) -0.81 8.85 -28.31 0 1 1 0 158.309 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0475511A3 IBM Patent Data

Activity (Go SEA)

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