In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 9th, 2004 | 27 | No |
Popular Name: N-[(5E)-4-keto-2-thioxo-5-vanillylidene-thiazolidin-3-yl]-2-phenyl-acetamide N-[(5E)-4-keto-2-thioxo-5-vanill…
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) | 2.12 | 7.44 | -18.32 | 2 | 6 | 0 | 81 | 400.481 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 5.87 | -54.11 | 1 | 6 | -1 | 87 | 399.473 | 5 | ↓ |