UCSF

ZINC27320641

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 16 Yes

Popular Name: N,N-dimethyl-N'-(4-quinolyl)ethane-1,2-diamine N,N-dimethyl-N'-(4-quinolyl)etha…

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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) 2.06 6.38 -87.35 3 3 2 31 217.316 4 ↓
Hi High (pH 8-9.5) 2.06 3.85 -28.62 2 3 1 29 216.308 4 ↓
Hi High (pH 8-9.5) 2.06 5.97 -48.15 2 3 1 29 216.308 4 ↓

Activity (Go SEA)

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