UCSF

ZINC67630351

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 27 Yes

Popular Name: (7S)-7-(2-furyl)-N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (7S)-7-(2-furyl)-N-[(1S,2R)-2-me…

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) 2.72 8.04 -17.33 2 6 0 92 368.433 3 ↓
Hi High (pH 8-9.5) 3.18 7.35 -55.03 1 6 -1 95 367.425 3 ↓

Activity (Go SEA)

Rings

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

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