UCSF

ZINC34431650

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 15 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) 0.39 1.73 -30.78 2 5 1 54 220.289 8
Hi High (pH 8-9.5) 0.39 0.25 -5.08 1 5 0 49 219.281 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5496952 IBM Patent Data

Activity (Go SEA)

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