In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 16 | Yes |
Popular Name: 1-[(2R,3S)-1-ethyl-2-(5-methyl-2-furyl)pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2R,3S)-1-ethyl-2-(5-methyl-2…
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) | 2.07 | 4.82 | -42.62 | 2 | 3 | 1 | 33 | 223.34 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 6.96 | -98.14 | 3 | 3 | 2 | 34 | 224.348 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.