In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2011 | 18 | Yes |
Popular Name: (3R)-3-ethyl-1-[(2-methylthiazol-5-yl)methyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(2-methylthiazol…
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) | 1.22 | 7.8 | -46.62 | 1 | 4 | 0 | 57 | 268.382 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.22 | 5.93 | -45.39 | 0 | 4 | -1 | 56 | 267.374 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.