| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 20 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propanoic (2S)-2-cyclopropyl-3-(3,4-dihydr…
| 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) | -0.29 | 7.42 | -37.68 | 2 | 4 | 0 | 60 | 274.364 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.29 | 9.06 | -33.77 | 2 | 4 | 0 | 57 | 274.364 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.29 | 8.47 | -49.55 | 1 | 4 | -1 | 55 | 273.356 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | 9.06 | -70.34 | 3 | 4 | 1 | 61 | 275.372 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
