| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (1S)-1-cyclopropyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propyl-ethane-1,2-diamine (1S)-1-cyclopropyl-N'-methyl-N'-…
| 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) | 1.64 | 6.05 | -39.62 | 2 | 4 | 1 | 38 | 251.398 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 6.94 | -36.02 | 2 | 4 | 1 | 34 | 251.398 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 8.05 | -116.57 | 3 | 4 | 2 | 39 | 252.406 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
