| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 18 | No |
Popular Name: (2S)-1-ethylsulfanyl-N-[[5-(2-furyl)isoxazol-3-yl]methyl]propan-2-amine (2S)-1-ethylsulfanyl-N-[[5-(2-fu…
| 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) | 2.51 | 6.73 | -40.67 | 2 | 4 | 1 | 56 | 267.374 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 5.52 | -7.69 | 1 | 4 | 0 | 51 | 266.366 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
