UCSF

ZINC08899686

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 No

Popular Name: 4-[hydroxy-(3-methoxyphenyl)-methylene]-5-(3-nitrophenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[hydroxy-(3-methoxyphenyl)-met…

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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) 2.51 9.78 -55.71 0 9 -1 128 444.423 7 ↓
Mid Mid (pH 6-8) 2.95 9.95 -14.75 1 9 0 126 445.431 6 ↓
Mid Mid (pH 6-8) 1.92 9.98 -19.69 0 9 0 122 445.431 7 ↓
Lo Low (pH 4.5-6) 1.92 10.26 -52.78 1 9 1 124 446.439 7 ↓
Lo Low (pH 4.5-6) 2.95 10.23 -53.89 2 9 1 127 446.439 6 ↓

Activity (Go SEA)

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