| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 20 | Yes |
Popular Name: (4S)-4-amino-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]pentan-1-one (4S)-4-amino-1-[4-(2-thienylmeth…
| 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) | 0.87 | 7.14 | -100.71 | 4 | 4 | 2 | 52 | 297.468 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.87 | 5.25 | -53.25 | 3 | 4 | 1 | 51 | 296.46 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
