UCSF

ZINC09339642

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 36 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxy-2-methyl-phenyl)-methylene]-5-(4-nitrophenyl)-pyrr 1-(3-dimethylaminopropyl)-4-[hyd…

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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) 4.19 14.23 -76.28 1 9 0 120 495.576 11 ↓
Mid Mid (pH 6-8) 4.19 13.15 -49.17 2 9 1 117 496.584 11 ↓
Mid Mid (pH 6-8) 3.61 2.23 -52.71 1 9 1 113 496.584 11 ↓

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