In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2010 | 13 | Yes |
Popular Name: 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidinamine 1-[(3-methyl-1,2,4-oxadiazol-5-y…
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) | -1.18 | 0.12 | -39.13 | 3 | 5 | 1 | 69 | 183.235 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.18 | -2.07 | -52.22 | 3 | 5 | 1 | 70 | 183.235 | 2 | ↓ |
Lo Low (pH 4.5-6) | -1.18 | 0.39 | -121.84 | 4 | 5 | 2 | 71 | 184.243 | 2 | ↓ |