In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 19 | Yes |
Popular Name: 3-(1-piperidyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine 3-(1-piperidyl)-N-[(1,3,5-trimet…
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) | 1.53 | 6.65 | -39 | 2 | 4 | 1 | 34 | 265.425 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.53 | 5.69 | -44.2 | 2 | 4 | 1 | 38 | 265.425 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.53 | 8.08 | -112.41 | 3 | 4 | 2 | 39 | 266.433 | 6 | ↓ |