| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 18 | Yes |
Popular Name: (1S)-N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine (1S)-N-[[3-(aminomethyl)isoxazol…
| 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) | 1.07 | 3.98 | -101.58 | 4 | 5 | 2 | 67 | 255.362 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.07 | 1.59 | -6.12 | 2 | 5 | 0 | 65 | 253.346 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 2 | -47.74 | 3 | 5 | 1 | 66 | 254.354 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
