In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 16 | Yes |
Popular Name: 2-(3-aminopropyl-methyl-amino)-1-(4-methylpiperazin-1-yl)ethanone 2-(3-aminopropyl-methyl-amino)-1…
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) | -1.34 | 1.5 | -93.11 | 4 | 5 | 2 | 56 | 230.356 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.34 | 1.14 | -38.74 | 3 | 5 | 1 | 54 | 229.348 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.34 | -1.18 | -8.81 | 2 | 5 | 0 | 53 | 228.34 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.34 | 1.51 | -109.45 | 4 | 5 | 2 | 56 | 230.356 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.34 | 3.91 | -174.01 | 5 | 5 | 3 | 57 | 231.364 | 5 | ↓ |