In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 16 | Yes |
Popular Name: 1-[(2R,3R)-1-ethyl-2-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2R,3R)-1-ethyl-2-(1-methylpy…
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) | 0.96 | 3.34 | -39.5 | 2 | 4 | 1 | 38 | 223.344 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.96 | 5.47 | -98.07 | 3 | 4 | 2 | 39 | 224.352 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.