| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 15th, 2008 | 22 | No |
Popular Name: (2S)-2-[(5Z)-4-oxo-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]butanedioic (2S)-2-[(5Z)-4-oxo-5-(4-pyridylm…
| 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) | -0.65 | 5.76 | -121.75 | 0 | 7 | -2 | 115 | 336.35 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.65 | 6.06 | -140.64 | 1 | 7 | -1 | 116 | 337.358 | 5 | ↓ |
