In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: 4-(4-tert-butylpiperazin-1-yl)-N-methyl-butan-1-amine 4-(4-tert-butylpiperazin-1-yl)-N…
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) | 1.75 | 5.1 | -77.33 | 3 | 3 | 2 | 24 | 229.412 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 2.96 | -36.87 | 2 | 3 | 1 | 23 | 228.404 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 5.2 | -92.24 | 3 | 3 | 2 | 24 | 229.412 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.75 | 7.39 | -178.07 | 4 | 3 | 3 | 25 | 230.42 | 6 | ↓ |