In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-1-(4-chloropyrazol-1-yl)-1-(p-tolyl)butan-2-amine (1S,2R)-1-(4-chloropyrazol-1-yl)…
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) | 2.77 | 6.26 | -42.83 | 3 | 3 | 1 | 45 | 264.78 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 6.23 | -3.71 | 2 | 3 | 0 | 44 | 263.772 | 4 | ↓ |