UCSF

ZINC59645705

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 13 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) 0.98 1.18 -8.76 2 3 0 49 177.203 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0067001A2; EP0097503A2; EP0118766A2; EP0130488A2; EP0132787A1; EP0141254A1; EP0177962A2; EP0177962B1; EP0184044A2; EP0184044B1; EP0307227B1; EP0345636A2; EP0349157A2; EP0352098A2; EP0353873A1; EP0353873B1; EP0363198A2; EP0383354A2; EP0389928A2; EP038992 IBM Patent Data

Activity (Go SEA)

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