UCSF

ZINC09231864

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 20 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) -0.48 -10.21 -14.65 4 9 0 125 281.272 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0506892A1; EP0506892B1; EP0579771A1; EP0594578A1; EP0594578B1; EP0639584B1; EP0649411A1; EP0755255A1; EP0758386A1; EP0792375A1; EP0824345A1; EP0871773A2; EP0905259A1; EP0948256A1; EP0981646A1; EP1053313A1; US5130302; US5177198; US5258284; US5426180; US5 IBM Patent Data

Activity (Go SEA)

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