| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 18 | Yes |
Popular Name: (2R,4S,5R)-1,2,5-trimethyl-N-[2-(1-piperidyl)ethyl]piperidin-4-amine (2R,4S,5R)-1,2,5-trimethyl-N-[2-…
| 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) | 2.26 | 8.88 | -195.33 | 4 | 3 | 3 | 25 | 256.458 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 7.84 | -78.4 | 3 | 3 | 2 | 21 | 255.45 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 5.63 | -30.88 | 2 | 3 | 1 | 20 | 254.442 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 6.91 | -116.52 | 3 | 3 | 2 | 24 | 255.45 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 4.69 | -37.61 | 2 | 3 | 1 | 23 | 254.442 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
