| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 18 | Yes |
Popular Name: (4S)-N1,N1-diethyl-N4-[(1-methylimidazol-2-yl)methyl]pentane-1,4-diamine (4S)-N1,N1-diethyl-N4-[(1-methyl…
| 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) | 1.31 | 8.86 | -183.51 | 4 | 4 | 3 | 40 | 255.43 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 7.22 | -34.02 | 2 | 4 | 1 | 34 | 253.414 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 7.67 | -79.95 | 3 | 4 | 2 | 36 | 254.422 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 8.41 | -96.78 | 3 | 4 | 2 | 39 | 254.422 | 9 | ↓ |
