UCSF

ZINC40768038

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 19 No

Popular Name: (3S)-3-[2-(azepan-1-yl)ethylamino]-1-ethyl-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) 0.71 5.04 -41.42 2 5 1 54 268.381 5 ↓
Hi High (pH 8-9.5) 0.71 3.21 -6.59 1 5 0 53 267.373 5 ↓
Lo Low (pH 4.5-6) 0.71 6.3 -130.17 3 5 2 58 269.389 5 ↓

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