UCSF

ZINC49067203

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 35 No

Popular Name: (2S)-2-(2,4-difluorophenyl)-1-[4-[(4-nitrophenyl)methoxyimino]-1-piperidyl]-3-(1,2,4-triazol-1-yl)pr (2S)-2-(2,4-difluorophenyl)-1-[4…

Find On: PubMed — Wikipedia — Google

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) 2.62 13.7 -61.58 2 10 1 123 487.487 9 ↓
Hi High (pH 8-9.5) 2.62 12.02 -14.12 1 10 0 122 486.479 9 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.