In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2010 | 15 | Yes |
Popular Name: N-[3-(1H-imidazol-1-yl)propyl]-N'-propylethane-1,2-diamine N-[3-(1H-imidazol-1-yl)propyl]-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) | 0.01 | 6.96 | -185.66 | 5 | 4 | 3 | 52 | 213.349 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.01 | 5.11 | -48.81 | 3 | 4 | 1 | 46 | 211.333 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.01 | 5.62 | -80.17 | 4 | 4 | 2 | 48 | 212.341 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.01 | 6.45 | -128.49 | 4 | 4 | 2 | 51 | 212.341 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.01 | 5.11 | -43.92 | 3 | 4 | 1 | 46 | 211.333 | 9 | ↓ |