In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2004 | 21 | No |
Popular Name: (2E,5E)-2-(2-chlorophenyl)imino-5-[(1-methylpyrrol-2-yl)methylene]thiazolidin-4-one (2E,5E)-2-(2-chlorophenyl)imino-…
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) | 4.00 | 8.24 | -37.72 | 0 | 4 | -1 | 49 | 316.793 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.95 | 7.08 | -41.01 | 0 | 4 | -1 | 53 | 316.793 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.95 | 6.48 | -44.06 | 0 | 4 | -1 | 53 | 316.793 | 2 | ↓ |