UCSF

ZINC17180867

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 30 No

Popular Name: (4E,5R)-1-(2-dimethylaminoethyl)-4-[hydroxy-(p-tolyl)methylene]-5-(4-nitrophenyl)pyrrolidine-2,3-dio (4E,5R)-1-(2-dimethylaminoethyl)…

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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) 2.82 11.34 -74.74 1 8 0 111 409.442 7 ↓
Hi High (pH 8-9.5) 2.82 8.8 -55.03 0 8 -1 109 408.434 7 ↓
Lo Low (pH 4.5-6) 2.82 10.51 -61.26 2 8 1 108 410.45 7 ↓

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