UCSF

ZINC09008462

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 35 No

Popular Name: 1-(2-dimethylaminoethyl)-4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)-methylene]-5-(3-nitrophenyl)-pyrro 1-(2-dimethylaminoethyl)-4-[hydr…

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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) 3.90 13 -71.39 1 9 0 120 481.549 10 ↓
Hi High (pH 8-9.5) 3.90 10.46 -52.51 0 9 -1 119 480.541 10 ↓
Mid Mid (pH 6-8) 3.32 2.31 -56.02 1 9 1 113 482.557 10 ↓

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