UCSF

ZINC04012915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 21 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) -0.89 -5.99 -23.25 6 10 0 160 362.14 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0112632A2; EP0168322A2; EP0168322B1; EP0172107A1; EP0172107B1; EP0341065A2; EP0341065B1; EP0341066A2; EP0341066B1; EP0406210A2; EP0406210B1; EP0414730A1; EP0414730B1; EP0483249A1; EP0491739A1; EP0491739B1; EP0570519A1; EP0570519B1; EP0586523A1; EP065508 IBM Patent Data

Activity (Go SEA)

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