| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 19 | Yes |
Popular Name: 1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanamine 1-(1-ethyl-3,5-dimethyl-pyrazol-…
| 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) | 1.49 | 6.87 | -32.74 | 2 | 4 | 1 | 34 | 265.425 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 4.62 | -6.16 | 1 | 4 | 0 | 33 | 264.417 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 6.34 | -40.34 | 2 | 4 | 1 | 38 | 265.425 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 8.13 | -117.16 | 3 | 4 | 2 | 39 | 266.433 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
