In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 16 | Yes |
Popular Name: N'-(3-imidazol-1-ylpropyl)-N'-methyl-N-propyl-ethane-1,2-diamine N'-(3-imidazol-1-ylpropyl)-N'-me…
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) | 0.61 | 5.98 | -44.13 | 2 | 4 | 1 | 38 | 225.36 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 6.95 | -44.77 | 2 | 4 | 1 | 34 | 225.36 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 4.63 | -6.84 | 1 | 4 | 0 | 33 | 224.352 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.61 | 6.5 | -80.36 | 3 | 4 | 2 | 39 | 226.368 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.61 | 8.29 | -124.12 | 3 | 4 | 2 | 39 | 226.368 | 9 | ↓ |
Lo Low (pH 4.5-6) | 0.61 | 8.8 | -181.07 | 4 | 4 | 3 | 40 | 227.376 | 9 | ↓ |