In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 20 | Yes |
Popular Name: (S)-cyclohexyl-[3-(3-pyridylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (S)-cyclohexyl-[3-(3-pyridylmeth…
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) | 0.54 | 3.74 | -52.21 | 3 | 5 | 1 | 79 | 273.36 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.54 | 3.42 | -8.59 | 2 | 5 | 0 | 78 | 272.352 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.54 | 4.21 | -96.38 | 4 | 5 | 2 | 81 | 274.368 | 4 | ↓ |