In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 17 | Yes |
Popular Name: (4-isobutylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (4-isobutylpiperazin-1-yl)-[(2R)…
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) | 0.85 | 3.96 | -37.78 | 2 | 4 | 1 | 40 | 240.371 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.85 | 2.6 | -5.85 | 1 | 4 | 0 | 36 | 239.363 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.85 | 5.89 | -94.05 | 3 | 4 | 2 | 41 | 241.379 | 3 | ↓ |