| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: 1-(3-methylbut-2-enyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(1S)-1…
| 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) | 1.78 | 8.56 | -41.98 | 2 | 5 | 1 | 47 | 278.424 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 9.3 | -109.65 | 3 | 5 | 2 | 52 | 279.432 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
