UCSF

ZINC05514861

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 27 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) 3.88 8.07 -9.52 2 5 0 84 382.541 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0129908A1; EP0186181A2; EP0218953A2; EP0225044A1; EP0225044B1; EP0272918A2; EP0272918B1; EP0272987A2; EP0272987B1; EP0289512A1; EP0289512B1; EP0294757A2; EP0294757B1; EP0297842A2; EP0305756A1; EP0305756B1; EP0316168A1; EP0316168B1; EP0317959A2; EP031957 IBM Patent Data

Activity (Go SEA)

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