UCSF

ZINC17179799

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 31 No

Popular Name: (4E,5S)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-propoxyphenyl)methylene]-5-(5-methyl-2-furyl)pyrroli (4E,5S)-1-(3-dimethylaminopropyl…

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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) 3.09 10.57 -57 1 7 0 87 426.513 10 ↓
Mid Mid (pH 6-8) 2.51 10.41 -45.86 1 7 1 81 427.521 10 ↓
Lo Low (pH 4.5-6) 3.09 9.44 -51.59 2 7 1 84 427.521 10 ↓

Activity (Go SEA)

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