In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 16 | Yes |
Popular Name: N-[(1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(1-methylpyrazol-4-yl)methyl]…
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) | 0.58 | 4.79 | -38.3 | 2 | 4 | 1 | 34 | 223.344 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.58 | 6.22 | -108.7 | 3 | 4 | 2 | 39 | 224.352 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.58 | 3.69 | -44.55 | 2 | 4 | 1 | 38 | 223.344 | 6 | ↓ |