UCSF

ZINC05850114

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 21 No

Popular Name: 1,3-Propanediamine, N-(2-chloroethyl)-N'-(7-chloro-4-quinolinyl)-N-ethyl-, dihydrochloride; 7-Chloro-4-(3-ethyl(2-chloroethyl)aminopropylamino)quinoline dihydrochloride; ICR-172; LS-141718; Quinoline, 7-chloro-4-((3-((2-chloroethyl)ethylamino)propyl)amino 1,3-Propanediamine, N-(2-chloroe…

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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) 3.97 9.54 -90.34 3 3 2 31 328.287 8 ↓
Hi High (pH 8-9.5) 3.97 6.97 -7.26 1 3 0 28 326.271 8 ↓
Hi High (pH 8-9.5) 3.97 9.13 -49.91 2 3 1 29 327.279 8 ↓
Hi High (pH 8-9.5) 3.97 7.4 -32.09 2 3 1 29 327.279 8 ↓

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