UCSF

ZINC59832162

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 14 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) -2.65 1.52 -76.19 8 6 1 131 203.266 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0196841A1; EP0592557A1; EP0592557B1; EP0597831A1; EP0597831B1; EP0669824A1; EP0669824B1; EP0922454A2; EP1046392A2; US5028627 IBM Patent Data

Activity (Go SEA)

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