| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 23 | Yes |
Popular Name: (2R)-1-[(3,5-dimethyl-2-pyrazol-1-yl-phenyl)methyl]-2-methyl-1,4-diazepan-5-one (2R)-1-[(3,5-dimethyl-2-pyrazol-…
| 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) | 2.21 | 7.15 | -8.74 | 1 | 5 | 0 | 50 | 312.417 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 7.98 | -40.6 | 2 | 5 | 1 | 51 | 313.425 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
