In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 14 | Yes |
Popular Name: N'-(3-imidazol-1-ylpropyl)-N,N'-dimethyl-ethane-1,2-diamine N'-(3-imidazol-1-ylpropyl)-N,N'-…
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) | 0.08 | 4.38 | -44.03 | 2 | 4 | 1 | 38 | 197.306 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.08 | 6.7 | -120.74 | 3 | 4 | 2 | 39 | 198.314 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.08 | 4.9 | -79.2 | 3 | 4 | 2 | 39 | 198.314 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.08 | 7.2 | -176.54 | 4 | 4 | 3 | 40 | 199.322 | 7 | ↓ |