| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 22 | Yes |
Popular Name: (2R)-N-isopropyl-2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanamide (2R)-N-isopropyl-2-[4-(thiophene…
| 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) | 0.76 | 6.81 | -39.68 | 2 | 5 | 1 | 54 | 324.47 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 5.03 | -11.97 | 1 | 5 | 0 | 53 | 323.462 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
