| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 14 | Yes |
Popular Name: (3S,4S)-3-(4-methylpiperazin-1-yl)tetrahydropyran-4-amine (3S,4S)-3-(4-methylpiperazin-1-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) | -0.80 | 1.08 | -98.22 | 4 | 4 | 2 | 45 | 201.314 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.80 | -1.67 | -2.19 | 2 | 4 | 0 | 42 | 199.298 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.80 | 0.18 | -31.35 | 3 | 4 | 1 | 43 | 200.306 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.80 | 0.53 | -117.08 | 4 | 4 | 2 | 45 | 201.314 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.80 | -1.28 | -43.74 | 3 | 4 | 1 | 43 | 200.306 | 1 | ↓ |
