UCSF

ZINC08837388

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 No

Popular Name: 1-(2-dimethylaminoethyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-5-(3-nitrophenyl)-pyrroli 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) 2.78 10.16 -70.91 1 9 0 120 439.468 8 ↓
Hi High (pH 8-9.5) 2.78 7.62 -53.55 0 9 -1 119 438.46 8 ↓
Mid Mid (pH 6-8) 2.19 1.99 -56.21 1 9 1 113 440.476 8 ↓

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