| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 18 | Yes |
Popular Name: 2-methoxy-N-[[(2S)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2S)-1-(2-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) | 0.23 | 3.86 | -40.11 | 2 | 5 | 1 | 47 | 253.37 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.23 | 2.15 | -5.46 | 1 | 5 | 0 | 42 | 252.362 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 5.64 | -118.62 | 3 | 5 | 2 | 48 | 254.378 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 4.41 | -33.8 | 2 | 5 | 1 | 44 | 253.37 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
