UCSF

ZINC34384839

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 31 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) 2.54 6.39 -48.99 4 8 1 100 449.959 8
Hi High (pH 8-9.5) 2.54 4.15 -14.43 3 8 0 99 448.951 8
Lo Low (pH 4.5-6) 2.54 6.8 -102.36 5 8 2 101 450.967 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% )