| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-2-(4-isobutylpiperazin-1-yl)-N-methyl-indan-1-amine (1S,2S)-2-(4-isobutylpiperazin-1…
| 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) | 2.70 | 7.89 | -95.56 | 3 | 3 | 2 | 24 | 289.467 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 4.82 | -2.8 | 1 | 3 | 0 | 19 | 287.451 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 6.68 | -35.79 | 2 | 3 | 1 | 20 | 288.459 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
