In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 16 | Yes |
Popular Name: 4-piperidinemethanol, 1-[(6-methyl-2-piperidinyl)methyl]- 4-piperidinemethanol, 1-[(6-meth…
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) | 1.49 | 4.32 | -112.89 | 4 | 3 | 2 | 41 | 228.38 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 3.13 | -33.9 | 3 | 3 | 1 | 37 | 227.372 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.49 | 2.51 | -33.08 | 3 | 3 | 1 | 40 | 227.372 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.