| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2010 | 15 | No |
Popular Name: (3S)-3-(4-methylpiperazin-1-yl)tetrahydrothiophene-3-carboxylic (3S)-3-(4-methylpiperazin-1-yl)t…
| 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) | -1.78 | 4.79 | -56.22 | 1 | 4 | 0 | 48 | 230.333 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.78 | 2.42 | -42.67 | 0 | 4 | -1 | 47 | 229.325 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 4.41 | -27 | 1 | 4 | 0 | 48 | 230.333 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
