In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 14 | Yes |
Popular Name: N-methyl-1-[(2S,3R)-1-methyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine N-methyl-1-[(2S,3R)-1-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) | 1.80 | 4.25 | -40.75 | 2 | 2 | 1 | 20 | 211.354 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 6.41 | -101.41 | 3 | 2 | 2 | 21 | 212.362 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.