| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 18 | Yes |
Popular Name: (3S)-3-[[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]amino]azepan-2-one (3S)-3-[[(1S)-1-(2,5-dimethyl-3-…
| 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 | 5.19 | -39.23 | 3 | 4 | 1 | 59 | 251.35 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 4.71 | -8.58 | 2 | 4 | 0 | 54 | 250.342 | 3 | ↓ |
