In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 20 | No |
Popular Name: (2Z,5Z)-2-cyclopentylimino-5-[(3-fluorophenyl)methylene]thiazolidin-4-one (2Z,5Z)-2-cyclopentylimino-5-[(3…
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) | 4.48 | 6.91 | -7.87 | 1 | 3 | 0 | 45 | 290.363 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 5.8 | -43.73 | 0 | 3 | -1 | 44 | 289.355 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 6.78 | -13.49 | 1 | 3 | 0 | 42 | 290.363 | 3 | ↓ |