| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2008 | 29 | No |
Popular Name: (NE)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[4-(p-tolylmethyl)piperazin-1-yl]acetamide (NE)-N-[(2-hydroxy-1H-indol-3-yl…
| 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) | 2.39 | 6.71 | -49.54 | 3 | 7 | 1 | 82 | 392.483 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 3.04 | -49.71 | 1 | 7 | -1 | 87 | 390.467 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 2.56 | -58.47 | 1 | 7 | -1 | 84 | 390.467 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 2.09 | -48.17 | 1 | 7 | -1 | 87 | 390.467 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 4.58 | -35.2 | 3 | 7 | 1 | 79 | 392.483 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 2.23 | -17.79 | 2 | 7 | 0 | 84 | 391.475 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 6.84 | -84.58 | 4 | 7 | 2 | 80 | 393.491 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 4.44 | -18.87 | 2 | 7 | 0 | 81 | 391.475 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 1.35 | -8.99 | 2 | 7 | 0 | 84 | 391.475 | 5 | ↓ |
