UCSF

ZINC53427988

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-ethyl-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) 0.13 0.6 -14.11 1 5 0 62 297.424 7 ↓
Mid Mid (pH 6-8) 0.13 2.7 -57.33 2 5 1 63 298.432 7 ↓
Lo Low (pH 4.5-6) 0.13 1.74 -62.91 2 5 1 67 298.432 7 ↓
Lo Low (pH 4.5-6) 0.13 3.84 -158.55 3 5 2 68 299.44 7 ↓

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Rings

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

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