| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 17 | Yes |
Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(1-methylpyrazol-4-yl)propane-1,2-diamine (1R,2S)-N1-(cyclobutylmethyl)-N1…
| 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) | 0.55 | 3.54 | -39.47 | 3 | 4 | 1 | 49 | 237.371 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 3.33 | -4.48 | 2 | 4 | 0 | 47 | 236.363 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.55 | 5.43 | -118.77 | 4 | 4 | 2 | 50 | 238.379 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
