| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(4-ethylphenyl)-N2-methyl-N2-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine (1S,2R)-1-(4-ethylphenyl)-N2-met…
| 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) | 0.48 | 5.54 | -49.57 | 3 | 4 | 1 | 49 | 287.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 5.26 | -5.53 | 2 | 4 | 0 | 47 | 286.423 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 7.28 | -36.82 | 3 | 4 | 1 | 48 | 287.431 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.48 | 7.57 | -121.32 | 4 | 4 | 2 | 50 | 288.439 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
