| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 21 | No |
Popular Name: (3S)-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,1-dioxo-thian-3-amine (3S)-N-[(2S)-3-methyl-2-(4-methy…
| 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) | 0.92 | 3.42 | -115.78 | 3 | 5 | 2 | 58 | 319.515 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 1.35 | -11.11 | 1 | 5 | 0 | 53 | 317.499 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 3.72 | -45.45 | 2 | 5 | 1 | 54 | 318.507 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
