UCSF

ZINC38797424

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 28 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) 4.14 9.81 -53.85 3 5 1 72 404.914 9
Hi High (pH 8-9.5) 4.14 8.62 -10.89 2 5 0 68 403.906 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4927955; US5041606; US5236951; US5347037 IBM Patent Data

Activity (Go SEA)

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