UCSF

ZINC33819490

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.63 5.17 -13.64 2 6 0 80 351.406 4
Lo Low (pH 4.5-6) 2.63 6 -28.52 3 6 1 81 352.414 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0951466A2 IBM Patent Data

Activity (Go SEA)

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