UCSF

ZINC01638006

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) -1.64 -4.56 -65.3 5 6 0 112 275.308 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0347890A1; EP0347890B1; EP0475160B1; EP0479912B1; EP0771818A3; US4062835; US4849408; US5036052; US5506362; US5766927; US5977076; US6165500; WO1989002920A1; WO1991000356A1; WO1994012209A1; WO1994020136A1; WO1996002561A1 IBM Patent Data

Activity (Go SEA)

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