UCSF

ZINC34384795

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 26 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) 1.22 4.16 -111.86 7 7 2 106 386.924 8
Hi High (pH 8-9.5) 1.22 1.92 -51.39 6 7 1 104 385.916 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4906643; US5130312 IBM Patent Data

Activity (Go SEA)

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