UCSF

ZINC53441185

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-[(1-methylpyrazol-4-yl)methyl]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) -0.58 -0.81 -14.94 1 6 0 67 286.401 6 ↓
Mid Mid (pH 6-8) -0.58 1.52 -54.72 2 6 1 68 287.409 6 ↓
Lo Low (pH 4.5-6) -0.58 2.68 -150.33 3 6 2 73 288.417 6 ↓
Lo Low (pH 4.5-6) -0.58 0.36 -64.98 2 6 1 72 287.409 6 ↓

Activity (Go SEA)

Rings

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

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