| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 20 | Yes |
Popular Name: 3-[[(3-phenyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol 3-[[(3-phenyl-1H-pyrazol-4-yl)me…
| 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 | 4.86 | -40.23 | 4 | 4 | 1 | 66 | 274.388 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 4.77 | -8 | 3 | 4 | 0 | 61 | 273.38 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 4.66 | -5.12 | 3 | 4 | 0 | 61 | 273.38 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 4.88 | -44.72 | 4 | 4 | 1 | 66 | 274.388 | 7 | ↓ |
