In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 23 | No |
Popular Name: (2R)-1-(1,3-benzodioxole-5-carbonyl)-N-methylsulfonyl-pyrrolidine-2-carboxamide (2R)-1-(1,3-benzodioxole-5-carbo…
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) | -0.15 | -0.36 | -66.36 | 0 | 8 | -1 | 108 | 339.349 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.34 | 1.96 | -25.33 | 1 | 8 | 0 | 102 | 340.357 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.