In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 18 | No |
Popular Name: (1R)-3-methylsulfanyl-1-[3-(3-pyridylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1R)-3-methylsulfanyl-1-[3-(3-py…
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) | -0.95 | 2.49 | -55.19 | 3 | 5 | 1 | 79 | 265.362 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.95 | 2.16 | -10.31 | 2 | 5 | 0 | 78 | 264.354 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.95 | 2.96 | -99.11 | 4 | 5 | 2 | 81 | 266.37 | 6 | ↓ |