UCSF

ZINC34568418

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 3.06 8.42 -6.5 1 4 0 55 277.364 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0946499A1; EP0951464A1; EP0951466A2; EP0968198A1; US6117901; US6153652; WO1998028268A2; WO1998038177A1 IBM Patent Data

Activity (Go SEA)

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