| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 27 | No |
Popular Name: 5-(4-ethylpiperazin-1-yl)-2-nitro-N-(quinuclidin-3-ylideneamino)aniline 5-(4-ethylpiperazin-1-yl)-2-nitr…
| 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) | 4.16 | 9.72 | -99.35 | 3 | 8 | 2 | 82 | 374.489 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.16 | 4.97 | -6.89 | 1 | 8 | 0 | 80 | 372.473 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 7.28 | -46.54 | 2 | 8 | 1 | 81 | 373.481 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 7.41 | -48.35 | 2 | 8 | 1 | 81 | 373.481 | 5 | ↓ |
