| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 18 | Yes |
Popular Name: 4-(aminomethyl)-N-(cyclobutylmethyl)-1-isopropyl-N-methyl-piperidin-4-amine 4-(aminomethyl)-N-(cyclobutylmet…
| 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) | 1.35 | 4.39 | -28.55 | 3 | 3 | 1 | 34 | 254.442 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 4.85 | -30.11 | 3 | 3 | 1 | 34 | 254.442 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 5.19 | -103.42 | 4 | 3 | 2 | 35 | 255.45 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.35 | 7.04 | -218.2 | 5 | 3 | 3 | 37 | 256.458 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.35 | 4.85 | -121.54 | 4 | 3 | 2 | 35 | 255.45 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
