UCSF

ZINC45187433

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 30 Yes

Popular Name: N,N'-bis(2-quinolyl)octane-1,8-diamine N,N'-bis(2-quinolyl)octane-1,8-d…

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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) 6.53 13.65 -32.36 3 4 1 51 399.562 11 ↓
Mid Mid (pH 6-8) 6.53 13.2 -13.27 2 4 0 50 398.554 11 ↓
Mid Mid (pH 6-8) 6.53 14.09 -60.8 4 4 2 52 400.57 11 ↓

Activity (Go SEA)

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