UCSF

ZINC03954476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 30 No

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) 2.77 6.23 -150.6 3 10 -2 192 412.306 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0045968A2; EP0047987A1; EP0047987B2; EP0052542A1; EP0052542B2; EP0054998A1; EP0067919A1; EP0081147A1; EP0081147B2; EP0084066A2; EP0094809A2; EP0094809B2; EP0101355A2; EP0130113A1; EP0163000A2; EP0163000B1; EP0179642A2; EP0179642B1; EP0184152B1; EP018461 IBM Patent Data

Activity (Go SEA)

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