UCSF

ZINC34363769

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 23 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) -1.18 -2.83 -19.99 3 10 0 140 330.293 6
Hi High (pH 8-9.5) -0.72 -5.52 -62.56 2 10 -1 143 329.285 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000067698A2 IBM Patent Data

Activity (Go SEA)

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