| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2009 | 18 | Yes |
Popular Name: (2S)-2-isopropyl-2-methyl-4-(4-methylpiperazin-1-yl)-4-oxo-butanoic (2S)-2-isopropyl-2-methyl-4-(4-m…
| 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) | 0.81 | 5.21 | -58.72 | 0 | 5 | -1 | 64 | 255.338 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 7.53 | -78.18 | 1 | 5 | 0 | 65 | 256.346 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.81 | 5.73 | -47.11 | 2 | 5 | 1 | 62 | 257.354 | 4 | ↓ |
