| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N2-methyl-N2-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-propane-1,2-diamine (1S,2R)-N2-methyl-N2-[(1-methylp…
| 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) | -0.44 | 4.08 | -49.6 | 3 | 4 | 1 | 49 | 259.377 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 3.76 | -6.39 | 2 | 4 | 0 | 47 | 258.369 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.44 | 6.15 | -120.25 | 4 | 4 | 2 | 50 | 260.385 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
