| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2012 | 25 | Yes |
Popular Name: 2-methyl-4-[4-[[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methyl]phenyl]butan-2-ol 2-methyl-4-[4-[[(3S)-3-(4-methyl…
None
| 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) | 2.24 | 8.65 | -11.74 | 1 | 5 | 0 | 54 | 342.487 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 10.88 | -45.77 | 2 | 5 | 1 | 55 | 343.495 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.