In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2011 | 21 | Yes |
Popular Name: (3R)-3-methyl-1-[2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-[methyl(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) | 1.25 | 9.1 | -47.87 | 1 | 5 | 0 | 65 | 310.419 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 7.29 | -50.4 | 0 | 5 | -1 | 64 | 309.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.