In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2010 | 14 | Yes |
Popular Name: N-ethyl-N'-[3-(1H-imidazol-1-yl)propyl]ethane-1,2-diamine N-ethyl-N'-[3-(1H-imidazol-1-yl)…
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) | -0.49 | 6.21 | -183.01 | 5 | 4 | 3 | 52 | 199.322 | 8 | ↓ |
Hi High (pH 8-9.5) | -0.49 | 4.36 | -42.96 | 3 | 4 | 1 | 46 | 197.306 | 8 | ↓ |
Hi High (pH 8-9.5) | -0.49 | 4.34 | -48.66 | 3 | 4 | 1 | 46 | 197.306 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.49 | 4.87 | -78.93 | 4 | 4 | 2 | 48 | 198.314 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.49 | 5.69 | -126.18 | 4 | 4 | 2 | 51 | 198.314 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.49 | 4.86 | -93.9 | 4 | 4 | 2 | 48 | 198.314 | 8 | ↓ |