| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 23 | Yes |
Popular Name: (2S)-1-[(5-methyl-2-thienyl)methyl-(2-morpholinoethyl)amino]hex-5-en-2-ol (2S)-1-[(5-methyl-2-thienyl)meth…
| 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) | 2.52 | 5.44 | -37.75 | 2 | 4 | 1 | 37 | 339.525 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 3.28 | -4.25 | 1 | 4 | 0 | 36 | 338.517 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.52 | 5.54 | -39.52 | 2 | 4 | 1 | 37 | 339.525 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
