In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2006 | 24 | No |
Popular Name: 2-benzylideneaminoimino-5-[(3,4-dimethylphenyl)methyl]thiazolidin-4-one 2-benzylideneaminoimino-5-[(3,4-…
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) | 3.77 | 10.68 | -7.62 | 1 | 4 | 0 | 54 | 337.448 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.30 | 9.73 | -44.59 | 0 | 4 | -1 | 56 | 336.44 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.30 | 10.95 | -33.39 | 2 | 4 | 1 | 55 | 338.456 | 5 | ↓ |