| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 17 | No |
Popular Name: (2S,4S)-4-amino-1-(1,4-dithiepan-6-yl)-N-methyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-(1,4-dithiepan…
| 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) | -0.67 | -0.14 | -51.52 | 4 | 4 | 1 | 60 | 276.451 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.67 | -0.43 | -6.86 | 3 | 4 | 0 | 58 | 275.443 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
