In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2009 | 22 | Yes |
Popular Name: N'-[3-[3-(cyclohexylmethylamino)propylamino]propyl]-N-ethyl-propane-1,3-diamine N'-[3-[3-(cyclohexylmethylamino)…
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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) | 1.53 | 8.13 | -281.07 | 8 | 4 | 4 | 66 | 316.578 | 15 | ↓ |
Hi High (pH 8-9.5) | 1.53 | 5.26 | -93.36 | 6 | 4 | 2 | 57 | 314.562 | 15 | ↓ |
Hi High (pH 8-9.5) | 1.53 | 5.41 | -88.6 | 6 | 4 | 2 | 57 | 314.562 | 15 | ↓ |
Mid Mid (pH 6-8) | 1.53 | 6.67 | -168.42 | 7 | 4 | 3 | 62 | 315.57 | 15 | ↓ |