In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(4-tert-butylpiperazin-1-yl)-1-(p-tolyl)propan-2-amine (1S,2R)-1-(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) | 2.66 | 7.36 | -97.45 | 4 | 3 | 2 | 35 | 291.483 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.66 | 5.22 | -38.66 | 3 | 3 | 1 | 34 | 290.475 | 4 | ↓ |