| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 20 | Yes |
Popular Name: (2S)-N-[(3-tert-butyl-1H-pyrazol-4-yl)methyl]-2-morpholino-propan-1-amine (2S)-N-[(3-tert-butyl-1H-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) | 1.96 | 3.34 | -45.07 | 3 | 5 | 1 | 58 | 281.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 2.92 | -5.81 | 2 | 5 | 0 | 53 | 280.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 2.91 | -4.37 | 2 | 5 | 0 | 53 | 280.416 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 3.53 | -42.41 | 3 | 5 | 1 | 58 | 281.424 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 5.31 | -126.98 | 4 | 5 | 2 | 59 | 282.432 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 5.3 | -123.57 | 4 | 5 | 2 | 59 | 282.432 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
