| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | Yes |
Popular Name: (3S,4S)-N-methyl-3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]tetrahydropyran-4-amine (3S,4S)-N-methyl-3-[4-[(1S)-1-me…
| 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) | 1.32 | 4.44 | -91.72 | 3 | 4 | 2 | 34 | 257.422 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 1.72 | -1.12 | 1 | 4 | 0 | 28 | 255.406 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 2.59 | -35.99 | 2 | 4 | 1 | 32 | 256.414 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 3.62 | -32.73 | 2 | 4 | 1 | 29 | 256.414 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
