In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 25 | No |
Popular Name: (3R)-3-[(5E)-5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl]-3-phenyl-propanoic (3R)-3-[(5E)-5-benzylidene-4-oxo…
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) | 2.99 | 12.8 | -52.83 | 0 | 4 | -1 | 62 | 368.459 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.99 | 10.81 | -10.72 | 1 | 4 | 0 | 59 | 369.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.