UCSF

ZINC53383003

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

Popular Name: N-methyl-N,N'-bis(2-pyridylmethyl)ethane-1,2-diamine N-methyl-N,N'-bis(2-pyridylmethy…

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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) 0.58 5.5 -36.41 2 4 1 42 257.361 7 ↓
Hi High (pH 8-9.5) 0.58 3.15 -6.69 1 4 0 41 256.353 7 ↓
Mid Mid (pH 6-8) 0.58 4.55 -87.5 3 4 2 47 258.369 7 ↓
Mid Mid (pH 6-8) 0.58 4.52 -41.73 2 4 1 46 257.361 7 ↓

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Rings

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