| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 16 | Yes |
Popular Name: (6S)-1-[(2-chlorophenyl)methyl]-6-methyl-1,4-diazepane (6S)-1-[(2-chlorophenyl)methyl]-…
| 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) | 2.41 | 6.03 | -30.41 | 2 | 2 | 1 | 16 | 239.77 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 7.38 | -108.07 | 3 | 2 | 2 | 21 | 240.778 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 5.63 | -37.72 | 2 | 2 | 1 | 20 | 239.77 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
