In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 18 | Yes |
Popular Name: 1-[1-[(2R)-2-ethylhexyl]-3,5-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[1-[(2R)-2-ethylhexyl]-3,5-dim…
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) | 3.51 | 8.21 | -39.96 | 2 | 3 | 1 | 34 | 252.426 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 6.76 | -5.1 | 1 | 3 | 0 | 30 | 251.418 | 8 | ↓ |