UCSF

ZINC39022865

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 19 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) -1.58 -4.43 -16.05 3 8 0 128 267.241 2
Hi High (pH 8-9.5) -1.12 -6.9 -51.87 2 8 -1 131 266.233 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5681940 IBM Patent Data

Activity (Go SEA)

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