UCSF

ZINC53930253

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 16 Yes

Popular Name: (2S)-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclopentanone (2S)-2-[[methyl-[(1-methylpyrazo…

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) 0.57 6.74 -40.69 1 4 1 39 222.312 4 ↓
Hi High (pH 8-9.5) 0.57 4.61 -10.59 0 4 0 38 221.304 4 ↓

Activity (Go SEA)

Rings

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

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