In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 20 | Yes |
Popular Name: (2S,3R)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-propyl-pyrrolidin-3-amine (2S,3R)-2-(5-chloro-2,3-dihydro-…
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) | 2.11 | 4.18 | -50.65 | 3 | 4 | 1 | 49 | 297.806 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.11 | 5.73 | -36.47 | 3 | 4 | 1 | 49 | 297.806 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.