UCSF

ZINC40768020

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 17 No

Popular Name: (3R)-3-[2-(azepan-1-yl)ethylamino]pyrrolidine-2,5-dione (3R)-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) 0.09 1.77 -40.07 3 5 1 63 240.327 4 ↓
Hi High (pH 8-9.5) 0.09 -0.3 -6.95 2 5 0 61 239.319 4 ↓
Lo Low (pH 4.5-6) 0.09 3 -128.23 4 5 2 67 241.335 4 ↓

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

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