| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | No |
Popular Name: (3S)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-methyl-2-(4-methylpipe…
| 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) | 0.35 | 2.23 | -116.2 | 3 | 5 | 2 | 58 | 291.461 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.35 | -1.07 | -11.11 | 1 | 5 | 0 | 53 | 289.445 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.35 | 0.76 | -43.51 | 2 | 5 | 1 | 54 | 290.453 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
