UCSF

ZINC34383801

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 24 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) 5.41 9.98 -46.11 3 2 1 37 324.488 4
Hi High (pH 8-9.5) 5.41 9.58 -4.58 2 2 0 35 323.48 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5087743 IBM Patent Data

Activity (Go SEA)

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