UCSF

ZINC53373993

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)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) 1.19 1.49 -12.56 1 4 0 49 300.399 6 ↓
Mid Mid (pH 6-8) 1.19 3.83 -55.63 2 4 1 51 301.407 6 ↓
Lo Low (pH 4.5-6) 1.19 2.68 -63.7 2 4 1 54 301.407 6 ↓
Lo Low (pH 4.5-6) 1.19 4.99 -154.36 3 4 2 55 302.415 6 ↓

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Rings

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

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