| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 20 | No |
Popular Name: 2-(C-benzyl-N-methyl-carbonimidoyl)-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one 2-(C-benzyl-N-methyl-carbonimido…
| 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) | 2.91 | 7.19 | -38.39 | 0 | 3 | -1 | 52 | 270.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 7.84 | -9.06 | 1 | 3 | 0 | 46 | 271.36 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.91 | 5.63 | -9.96 | 1 | 3 | 0 | 50 | 271.36 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.91 | 5.34 | -9.24 | 1 | 3 | 0 | 50 | 271.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
