UCSF

ZINC43381935

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 22 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) 8.44 15.11 -3.65 0 2 0 26 312.538 16

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0326222A2; EP0326222B1; EP0375029A2; EP0659848A3; EP0711813A2; EP0711813A3; US4364743; US5013846; US5030521; US5154841; US5646198; US5773508; US5776596 IBM Patent Data

Activity (Go SEA)

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