UCSF

ZINC53926684

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 16 No

Popular Name: (2S,4R)-4-methyl-2-[[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]methyl]cyclohexanone (2S,4R)-4-methyl-2-[[methyl-[(3R…

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) 1.95 8.72 -41.67 1 2 1 22 242.408 3 ↓
Hi High (pH 8-9.5) 1.95 6.45 -5.44 0 2 0 20 241.4 3 ↓

Activity (Go SEA)

Rings

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

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