UCSF

ZINC05850109

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 22 No

Popular Name: 1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(6-methoxy-4-quinolyl)-, dihydrochloride; 4-((3-((2-Chloroethyl)ethylamino)propyl)amino)-6-methoxyquinoline dihydrochloride; ICR-174; LS-141742; Quinoline, 4-((3-((2-chloroethyl)ethylamino)propyl)amino)-6-m 1,3-Propanediamine, N-(2-chloroe…

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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) 3.35 8.35 -86.63 3 4 2 40 323.868 9 ↓
Hi High (pH 8-9.5) 3.35 6.2 -31.52 2 4 1 39 322.86 9 ↓
Hi High (pH 8-9.5) 3.35 5.77 -7.59 1 4 0 37 321.852 9 ↓

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