In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2009 | 20 | Yes |
Popular Name: N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethyl-propane-1,3-diamine N'-[3-[3-(cyclobutylmethylamino)…
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) | 0.28 | 6.87 | -277.95 | 8 | 4 | 4 | 66 | 288.524 | 15 | ↓ |
Hi High (pH 8-9.5) | 0.28 | 4.03 | -91.2 | 6 | 4 | 2 | 57 | 286.508 | 15 | ↓ |
Hi High (pH 8-9.5) | 0.28 | 4.07 | -88.42 | 6 | 4 | 2 | 57 | 286.508 | 15 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 5.44 | -166.11 | 7 | 4 | 3 | 62 | 287.516 | 15 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 5.52 | -164.76 | 7 | 4 | 3 | 62 | 287.516 | 15 | ↓ |