UCSF

ZINC53384113

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 No

Popular Name: N-[(1R)-1-cyclopropylethyl]-N'-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N-[(1R)-1-cyclopropylethyl]-N'-[…

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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) 0.85 2.81 -46.79 2 4 1 51 261.411 6 ↓
Mid Mid (pH 6-8) 0.85 1.49 -59.03 2 4 1 54 261.411 6 ↓
Mid Mid (pH 6-8) 0.85 3.95 -140.21 3 4 2 55 262.419 6 ↓
Mid Mid (pH 6-8) 0.85 0.33 -10.33 1 4 0 49 260.403 6 ↓

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

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