In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 18 | Yes |
Popular Name: (2R)-3-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propyl-propan-1-amine (2R)-3-(4-tert-butylpiperazin-1-…
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) | 2.48 | 6.91 | -81.63 | 3 | 3 | 2 | 24 | 257.466 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 4.78 | -37.17 | 2 | 3 | 1 | 23 | 256.458 | 7 | ↓ |