UCSF

ZINC53383763

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-(4-pyridylmethyl)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) -0.24 -0.3 -14.08 1 5 0 62 283.397 6 ↓
Mid Mid (pH 6-8) -0.24 2.04 -58.5 2 5 1 63 284.405 6 ↓
Lo Low (pH 4.5-6) -0.24 3.19 -155.79 3 5 2 68 285.413 6 ↓
Lo Low (pH 4.5-6) -0.24 0.84 -64.88 2 5 1 67 284.405 6 ↓

Activity (Go SEA)

Rings

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

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