UCSF

ZINC69135348

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 No

Popular Name: (1S)-N'-[(3R)-1,1-dioxothian-3-yl]-1-(2-furyl)-N,N-dimethyl-ethane-1,2-diamine (1S)-N'-[(3R)-1,1-dioxothian-3-y…

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) 0.76 1.65 -54.98 2 5 1 67 287.405 5 ↓
Mid Mid (pH 6-8) 0.76 0.16 -11.91 1 5 0 63 286.397 5 ↓
Mid Mid (pH 6-8) 0.76 2.68 -46.72 2 5 1 64 287.405 5 ↓
Lo Low (pH 4.5-6) 0.76 3.63 -133.47 3 5 2 68 288.413 5 ↓

Activity (Go SEA)

Rings

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

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