UCSF

ZINC53925560

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 18 Yes

Popular Name: (2S)-2-[[benzyl(methyl)amino]methyl]cycloheptanone (2S)-2-[[benzyl(methyl)amino]met…

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) 3.20 9.98 -37.5 1 2 1 22 246.374 4 ↓
Mid Mid (pH 6-8) 3.20 7.88 -6.19 0 2 0 20 245.366 4 ↓

Activity (Go SEA)

Rings

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

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