UCSF

ZINC53437170

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 No

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

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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) 1.62 3.5 -50.4 2 4 1 51 317.5 7 ↓
Mid Mid (pH 6-8) 1.62 4.66 -149.57 3 4 2 55 318.508 7 ↓
Mid Mid (pH 6-8) 1.62 2.99 -60.56 2 4 1 54 317.5 7 ↓
Mid Mid (pH 6-8) 1.62 1.85 -12.39 1 4 0 49 316.492 7 ↓

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Rings

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

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