| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 24 | No |
Popular Name: N-(methylcarbamoyl)-4-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]butanamide N-(methylcarbamoyl)-4-[4-[(5-met…
| 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) | 0.15 | 4.83 | -58.52 | 3 | 8 | 1 | 92 | 338.432 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.15 | 4.46 | -53.13 | 3 | 8 | 1 | 92 | 338.432 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.15 | 2.51 | -25 | 2 | 8 | 0 | 91 | 337.424 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.15 | 6.76 | -134.23 | 4 | 8 | 2 | 93 | 339.44 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
