| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 15 | Yes |
Popular Name: (3R)-3-methyl-1-[(1S,3S)-3-methylcyclohexyl]-1,4-diazepane (3R)-3-methyl-1-[(1S,3S)-3-methy…
| 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) | 2.50 | 5.9 | -31.48 | 2 | 2 | 1 | 16 | 211.373 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 5 | -33.82 | 2 | 2 | 1 | 20 | 211.373 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 3.93 | -0.37 | 1 | 2 | 0 | 15 | 210.365 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 7.05 | -106.88 | 3 | 2 | 2 | 21 | 212.381 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
