UCSF

ZINC67490611

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 Yes

Popular Name: (3S)-3-[(cyclohexylamino)methyl]-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-piperidin-2-one (3S)-3-[(cyclohexylamino)methyl]…

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) 2.40 6.72 -46.84 3 6 1 76 377.505 7 ↓
Hi High (pH 8-9.5) 2.40 6.5 -10.29 2 6 0 71 376.497 7 ↓

Activity (Go SEA)

Rings

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

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