| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: (3S)-1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(1,3-benzothiazol-2-ylmet…
| 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) | 2.23 | 8.74 | -46.4 | 1 | 4 | 0 | 57 | 290.388 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 6.26 | -49.52 | 0 | 4 | -1 | 56 | 289.38 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
