In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 16 | No |
Popular Name: 4-[(4-ethyl-4-methyl-1-piperidyl)methyl]thiadiazol-5-amine 4-[(4-ethyl-4-methyl-1-piperidyl…
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) | 2.08 | 3.9 | -39.54 | 3 | 4 | 1 | 56 | 241.384 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.08 | 1.65 | -7.81 | 2 | 4 | 0 | 55 | 240.376 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.