In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 20 | Yes |
Popular Name: (1R,3S)-3-methyl-1-[3-(3-pyridylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexanamine (1R,3S)-3-methyl-1-[3-(3-pyridyl…
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) | 2.12 | 3.18 | -52.39 | 3 | 5 | 1 | 79 | 273.36 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.12 | 3.65 | -96.41 | 4 | 5 | 2 | 81 | 274.368 | 3 | ↓ |