In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2010 | 13 | Yes |
Popular Name: (6R)-1-[(1S)-1-cyclopropylethyl]-6-methyl-1,4-diazepane (6R)-1-[(1S)-1-cyclopropylethyl]…
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) | 1.58 | 3.72 | -34.55 | 2 | 2 | 1 | 20 | 183.319 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 4.94 | -26.87 | 2 | 2 | 1 | 16 | 183.319 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 2.55 | -1.17 | 1 | 2 | 0 | 15 | 182.311 | 2 | ↓ |