In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 21 | No |
Popular Name: (2Z,5S)-5-[(4-chlorophenyl)methyl]-2-(2-pyridylimino)thiazolidin-4-one (2Z,5S)-5-[(4-chlorophenyl)methy…
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) | 2.98 | 8.78 | -7.85 | 1 | 4 | 0 | 54 | 317.801 | 3 | ↓ |
Ref Reference (pH 7) | 2.98 | 9.15 | -8.84 | 1 | 4 | 0 | 54 | 317.801 | 3 | ↓ |
Ref Reference (pH 7) | 2.98 | 8.43 | -15.3 | 1 | 4 | 0 | 54 | 317.801 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 7.98 | -39.72 | 0 | 4 | -1 | 56 | 316.793 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.16 | 8.85 | -14.97 | 1 | 4 | 0 | 58 | 317.801 | 3 | ↓ |