| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 29th, 2005 | 26 | No |
Popular Name: 5-(4-methylpiperazin-1-yl)-2-nitro-N-quinuclidin-3-ylideneamino-aniline 5-(4-methylpiperazin-1-yl)-2-nit…
| 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) | 3.79 | 10.21 | -91.47 | 3 | 8 | 2 | 82 | 360.462 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 5.41 | -8.13 | 1 | 8 | 0 | 80 | 358.446 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 7.76 | -49.27 | 2 | 8 | 1 | 81 | 359.454 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 7.86 | -41.63 | 2 | 8 | 1 | 81 | 359.454 | 4 | ↓ |
