| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 23 | Yes |
Popular Name: (2S)-N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]-2-methyl-butanamide (2S)-N-[[1,3-dimethyl-5-(4-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) | 1.43 | 7.87 | -45.45 | 2 | 6 | 1 | 55 | 322.477 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 5.85 | -7.83 | 1 | 6 | 0 | 53 | 321.469 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 8 | -92.68 | 3 | 6 | 2 | 56 | 323.485 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
