UCSF

ZINC34427868

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 32 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) 7.46 10.49 -17.07 0 4 0 52 414.464 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0860544A3 IBM Patent Data

Activity (Go SEA)

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