UCSF

ZINC40768035

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 18 No

Popular Name: (3S)-3-[2-(azepan-1-yl)ethylamino]-1-methyl-pyrrolidine-2,5-dione (3S)-3-[2-(azepan-1-yl)ethylamin…

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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) 0.33 4.05 -41.75 2 5 1 54 254.354 4 ↓
Hi High (pH 8-9.5) 0.33 2.22 -6.89 1 5 0 53 253.346 4 ↓
Lo Low (pH 4.5-6) 0.33 5.31 -130.13 3 5 2 58 255.362 4 ↓

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