In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (2R,3R)-3-(4-tert-butylpiperazin-1-yl)-N-methyl-butan-2-amine (2R,3R)-3-(4-tert-butylpiperazin…
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) | 1.87 | 4.99 | -85.89 | 3 | 3 | 2 | 24 | 229.412 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 2.85 | -33.3 | 2 | 3 | 1 | 23 | 228.404 | 4 | ↓ |