In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 19 | Yes |
Popular Name: (3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-amine (3S,5S)-5-[3-(4-chlorophenyl)-1,…
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) | 1.71 | 3.11 | -40.15 | 3 | 5 | 1 | 69 | 279.751 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.71 | 0.94 | -51.6 | 3 | 5 | 1 | 70 | 279.751 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.71 | 3.39 | -125.06 | 4 | 5 | 2 | 71 | 280.759 | 2 | ↓ |