| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N,N',2-trimethyl-N'-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-propane-1,3-diamine (1S,2S)-N,N',2-trimethyl-N'-[(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) | 2.23 | 6.98 | -44.57 | 2 | 4 | 1 | 38 | 287.431 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 7.94 | -39.22 | 2 | 4 | 1 | 34 | 287.431 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 8.98 | -120.49 | 3 | 4 | 2 | 39 | 288.439 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
