In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 21 | Yes |
Popular Name: N-[[4-[[(3R)-3-ethoxy-1-piperidyl]methyl]thiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-[[(3R)-3-ethoxy-1-piperidy…
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) | 2.14 | 7.41 | -88.46 | 3 | 4 | 2 | 43 | 313.511 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.14 | 6.16 | -32.75 | 2 | 4 | 1 | 39 | 312.503 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.