In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 18 | Yes |
Popular Name: (3R)-3-[[(1R,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]azepan-2-one (3R)-3-[[(1R,3S)-1-(hydroxymethy…
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) | 1.45 | 1.9 | -35.53 | 4 | 4 | 1 | 66 | 255.382 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.45 | 2.03 | -8.1 | 3 | 4 | 0 | 61 | 254.374 | 3 | ↓ |