UCSF

ZINC63732013

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 27 No

Popular Name: N-[4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]phenyl]-2-oxo-3H-pyridine-5-carboxamide N-[4-[[(1S,2R,3S)-2,3-dimethylcy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.47 6.23 -18.61 2 6 0 88 367.449 4 ↓
Hi High (pH 8-9.5) 2.66 4.59 -42.56 1 6 -1 94 366.441 4 ↓

Activity (Go SEA)

Rings

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

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