| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 19 | Yes |
Popular Name: (2S)-3-methyl-2-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)butan-1-amine (2S)-3-methyl-2-(4-methylpiperaz…
| 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) | 1.36 | 2.17 | -32.99 | 2 | 5 | 1 | 45 | 284.453 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 3.55 | -34.45 | 2 | 5 | 1 | 45 | 284.453 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 2.24 | -43.67 | 2 | 5 | 1 | 49 | 284.453 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 2.01 | -5.25 | 1 | 5 | 0 | 44 | 283.445 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 4.61 | -97.48 | 3 | 5 | 2 | 50 | 285.461 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 3.55 | -122.13 | 3 | 5 | 2 | 50 | 285.461 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
