| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 15th, 2008 | 21 | Yes |
Popular Name: (3R)-3-[[(2S)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]amino]butanamide (3R)-3-[[(2S)-2-(4-methyl-1-pipe…
| 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) | 3.31 | 3.88 | -36.78 | 4 | 4 | 1 | 63 | 310.487 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 2.44 | -7.86 | 3 | 4 | 0 | 58 | 309.479 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 5.97 | -114.92 | 5 | 4 | 2 | 64 | 311.495 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
