In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 20 | Yes |
Popular Name: (2R)-2-(1-phenylpyrazol-4-yl)-2-(1-piperidyl)ethanamine (2R)-2-(1-phenylpyrazol-4-yl)-2-…
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) | 1.29 | 5.12 | -50.24 | 3 | 4 | 1 | 49 | 271.388 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 7.58 | -33.46 | 3 | 4 | 1 | 48 | 271.388 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.29 | 7.28 | -124.55 | 4 | 4 | 2 | 50 | 272.396 | 4 | ↓ |