UCSF

ZINC34865961

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 Yes

Popular Name: N-[[3-[[bis(2-pyridylmethyl)amino]methyl]phenyl]methyl]-1-(2-pyridyl)-N-(2-pyridylmethyl)methanamine N-[[3-[[bis(2-pyridylmethyl)amin…

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Annotations

Vendors

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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) 2.43 13.7 -9.94 0 6 0 58 500.65 12 ↓
Mid Mid (pH 6-8) 2.43 12.51 -36.48 1 6 1 59 501.658 12 ↓
Mid Mid (pH 6-8) 2.43 14.57 -31.76 1 6 1 59 501.658 12 ↓
Lo Low (pH 4.5-6) 2.43 15.84 -151.07 3 6 3 62 503.674 12 ↓
Lo Low (pH 4.5-6) 2.43 13.86 -237.69 4 6 4 63 504.682 12 ↓
Lo Low (pH 4.5-6) 2.43 12.57 -148.6 3 6 3 62 503.674 12 ↓

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