UCSF

ZINC34016816

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 12 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) 2.66 6.98 -6.87 0 1 0 17 160.216 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0003741A2; EP0003846A1; EP0097333A2; EP0153700A2; EP0153700B1; EP0154723A1; EP0235704A2; EP0235704B1; EP0239437A2; EP0239437B1; EP0259944A2; EP0259944B1; EP0265055A2; EP0265055B1; EP0276986B1; EP0308045A2; EP0308045B1; EP0332400A2; EP0332400B1; EP035607 IBM Patent Data

Activity (Go SEA)

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