| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 25 | No |
Popular Name: (2S)-N-(isobutylcarbamoyl)-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propanamide (2S)-N-(isobutylcarbamoyl)-2-(4-…
| 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) | 1.12 | 9.23 | -46.31 | 3 | 8 | 1 | 92 | 349.459 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 7.53 | -19.13 | 2 | 8 | 0 | 90 | 348.451 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
