In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 16 | Yes |
Popular Name: 1-(4-ethyl-4-piperidyl)-N-(2-thienylmethyl)methanamine 1-(4-ethyl-4-piperidyl)-N-(2-thi…
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) | 2.18 | 6.18 | -107.93 | 4 | 2 | 2 | 33 | 240.416 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 5 | -39.15 | 3 | 2 | 1 | 29 | 239.408 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.