UCSF

ZINC53386022

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-[(5-chloro-2-thienyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-[(5-chloro-2-thienyl)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) 1.75 2.29 -60.01 2 4 1 54 323.891 6 ↓
Mid Mid (pH 6-8) 1.75 0.93 -11.53 1 4 0 49 322.883 6 ↓
Lo Low (pH 4.5-6) 1.75 3.42 -58.03 2 4 1 51 323.891 6 ↓
Lo Low (pH 4.5-6) 1.75 4.77 -150.35 3 4 2 55 324.899 6 ↓

Activity (Go SEA)

Rings

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

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