UCSF

ZINC66157322

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 43 No

Popular Name: (4S)-N4-(6-methoxy-8-quinolyl)-N1-[2-[2-[[(4S)-4-[(6-methoxy-8-quinolyl)amino]pentyl]amino]ethylamin (4S)-N4-(6-methoxy-8-quinolyl)-N…

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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) 4.59 9.49 -105.55 7 9 2 114 589.829 20 ↓
Hi High (pH 8-9.5) 4.59 8.13 -48.76 6 9 1 109 588.821 20 ↓
Lo Low (pH 4.5-6) 4.59 10.82 -229.34 8 9 3 118 590.837 20 ↓

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

No pre-computed analogs available. Try a structural similarity search.