UCSF

ZINC53388495

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 No

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(3S)-1-methyl-3-piperidyl]ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-yl]-…

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) 0.07 0.73 -43.75 2 5 1 54 290.453 5 ↓
Mid Mid (pH 6-8) 0.07 -1.84 -10.71 1 5 0 53 289.445 5 ↓
Mid Mid (pH 6-8) 0.07 1.9 -109.72 3 5 2 58 291.461 5 ↓
Mid Mid (pH 6-8) 0.07 3.01 -118.68 3 5 2 55 291.461 5 ↓
Mid Mid (pH 6-8) 0.07 -0.67 -59.74 2 5 1 57 290.453 5 ↓

Activity (Go SEA)

Rings

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

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