In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 20 | Yes |
Popular Name: N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[(3R,4R)-4-hydroxypyrrolidin-3…
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) | 0.12 | 1.19 | -54.11 | 3 | 6 | 1 | 76 | 279.316 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.12 | -0.27 | -17.76 | 2 | 6 | 0 | 71 | 278.308 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.