UCSF

ZINC33822180

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 12 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) 3.09 8.21 -45.66 0 2 -1 40 167.228 5
Lo Low (pH 4.5-6) 3.09 6.25 -7.86 1 2 0 37 168.236 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0284237A1; US4871868 IBM Patent Data

Activity (Go SEA)

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