| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2008 | 23 | No |
Popular Name: (2E,5R)-5-(hydroxymethyl)-5-(1-piperidylmethyl)-2-(1-piperidylmethylimino)thiazolidin-4-one (2E,5R)-5-(hydroxymethyl)-5-(1-p…
| 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) | 1.00 | 2.49 | -38.24 | 3 | 6 | 1 | 69 | 341.501 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 4.9 | -87.1 | 4 | 6 | 2 | 71 | 342.509 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 0.58 | -7.97 | 2 | 6 | 0 | 68 | 340.493 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 2.96 | -32.93 | 3 | 6 | 1 | 69 | 341.501 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 2.2 | -28.01 | 2 | 6 | 0 | 71 | 340.493 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.