In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2011 | 17 | Yes |
Popular Name: (3S)-3-methyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic (3S)-3-methyl-1-(2-pyrrolidin-1-…
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) | 1.04 | 8.79 | -111.9 | 2 | 4 | 1 | 49 | 241.355 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 6.36 | -48.37 | 1 | 4 | 0 | 48 | 240.347 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.