In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2008 | 26 | No |
Popular Name: 2-[[(5Z)-3-allyl-4-oxo-5-(2-pyridylmethylene)thiazolidin-2-ylidene]amino]benzoic 2-[[(5Z)-3-allyl-4-oxo-5-(2-pyri…
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) | 4.23 | 10.21 | -66.04 | 0 | 6 | -1 | 87 | 364.406 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.23 | 10.09 | -79.21 | 1 | 6 | 0 | 89 | 365.414 | 5 | ↓ |