In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 11 | Yes |
Popular Name: 2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine 2-(4-iodo-3,5-dimethyl-1H-pyrazo…
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) | 0.64 | 2.59 | -50.25 | 3 | 3 | 1 | 45 | 266.106 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.64 | 2.19 | -5.47 | 2 | 3 | 0 | 44 | 265.098 | 2 | ↓ |