In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2010 | 18 | Yes |
Popular Name: (4-tert-butylpiperazin-1-yl)-[(2R)-morpholin-2-yl]methanone (4-tert-butylpiperazin-1-yl)-[(2…
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) | 0.01 | 2.28 | -53.85 | 2 | 5 | 1 | 49 | 256.37 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.01 | 0.92 | -10.34 | 1 | 5 | 0 | 45 | 255.362 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.01 | 4.33 | -108.05 | 3 | 5 | 2 | 51 | 257.378 | 2 | ↓ |