UCSF

ZINC53433031

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-methoxyphenyl)methyl]-N-methyl-ethane-1,2-diamine N'-[(3R)-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) 1.05 0.99 -12.76 1 5 0 59 312.435 7 ↓
Mid Mid (pH 6-8) 1.05 3.35 -48.13 2 5 1 60 313.443 7 ↓
Lo Low (pH 4.5-6) 1.05 2.17 -60.32 2 5 1 63 313.443 7 ↓
Lo Low (pH 4.5-6) 1.05 4.51 -144.1 3 5 2 64 314.451 7 ↓

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Rings

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

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