In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2010 | 16 | Yes |
Popular Name: (3R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-propyl-pyrrolidin-3-amine (3R)-1-[(3-methyl-1,2,4-oxadiazo…
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) | 0.61 | 2.47 | -40.28 | 2 | 5 | 1 | 55 | 225.316 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.60 | 1.31 | -46.69 | 2 | 5 | 1 | 59 | 225.316 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.61 | 3.66 | -119.83 | 3 | 5 | 2 | 60 | 226.324 | 5 | ↓ |