| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: (1S)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1S)-N-[(1S)-1-(4-methyl-1,2,4-t…
| 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) | 1.61 | 8.22 | -45.35 | 2 | 5 | 1 | 60 | 274.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 8.21 | -35.62 | 2 | 5 | 1 | 57 | 274.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 7.82 | -12.96 | 1 | 5 | 0 | 56 | 273.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 8.6 | -95.78 | 3 | 5 | 2 | 61 | 275.4 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
