| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 20 | Yes |
Popular Name: (2S)-4-methyl-N-[(1-methyltriazol-4-yl)methyl]-2-morpholino-pentan-1-amine (2S)-4-methyl-N-[(1-methyltriazo…
| 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) | 1.17 | 3.08 | -48.62 | 2 | 6 | 1 | 60 | 282.412 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 1.84 | -9 | 1 | 6 | 0 | 55 | 281.404 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.17 | 4.8 | -125.9 | 3 | 6 | 2 | 61 | 283.42 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
