| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: (3S)-3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pentan-1-amine (3S)-3-[4-(2-methylpyrimidin-4-y…
| 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) | 0.16 | 5.59 | -121.04 | 4 | 5 | 2 | 61 | 265.405 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 3.41 | -5.6 | 2 | 5 | 0 | 58 | 263.389 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 3.79 | -48.37 | 3 | 5 | 1 | 60 | 264.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 4.24 | -82.27 | 4 | 5 | 2 | 61 | 265.405 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 6.04 | -175.84 | 5 | 5 | 3 | 62 | 266.413 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
