UCSF

ZINC04523421

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 17 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) -1.36 -9.14 -55.79 5 7 1 111 354.124 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0197718A2; EP0197718B1; EP0216453A2; EP0216453B1; EP0257378A1; EP0257378B1; EP0265116A2; EP0265116B1; EP0555898A2; EP0555898A3; EP0615979A2; EP0615979A3; EP0642363A1; EP0648229A1; EP0648229B1; EP0696598A1; US4000260; US4710492; US4736024; US4851519; US4 IBM Patent Data

Activity (Go SEA)

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