| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2010 | 25 | No |
Popular Name: (2S)-4-(4-methyl-2-nitro-anilino)-2-(4-methylpiperazin-1-yl)-4-oxo-butanoic (2S)-4-(4-methyl-2-nitro-anilino…
| 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) | 0.64 | 7.94 | -39.26 | 2 | 9 | 0 | 123 | 350.375 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 5.01 | -48.78 | 1 | 9 | -1 | 122 | 349.367 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 7.35 | -51.94 | 2 | 9 | 0 | 123 | 350.375 | 6 | ↓ |
