UCSF

ZINC15441916

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 10 Yes

Other Names:

MFCD06657965

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) 1.97 2.57 -6.57 1 1 0 20 144.12 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0457505A2; EP0457505A3; EP0468690A1; EP0468690B1; EP0469711A1; EP0549344A1; US5129938; US5135563; US5232897; US5298632; US5455355 IBM Patent Data

Activity (Go SEA)

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