UCSF

ZINC09274050

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 31 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene]-5-(3-nitrophenyl)-pyrroli 1-(3-dimethylaminopropyl)-4-[(2,…

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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) 1.72 9.77 -72.35 1 9 0 124 444.513 8 ↓
Mid Mid (pH 6-8) 2.17 9.42 -46.68 2 9 1 121 445.521 7 ↓
Mid Mid (pH 6-8) 1.14 0.27 -54.01 1 9 1 117 445.521 8 ↓

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