| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 19 | Yes |
Popular Name: [3-[(4-methylpiperazin-1-yl)sulfonylmethyl]phenyl]methanamine [3-[(4-methylpiperazin-1-yl)sulf…
| 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) | 0.36 | 0.7 | -50.74 | 3 | 5 | 1 | 68 | 284.405 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 0.3 | -11.16 | 2 | 5 | 0 | 67 | 283.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 3.06 | -99.99 | 4 | 5 | 2 | 69 | 285.413 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
