In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 18 | No |
Popular Name: (2R,4S)-2-(7-chloro-1,3-benzodioxol-5-yl)thiazolidine-4-carboxylic (2R,4S)-2-(7-chloro-1,3-benzodio…
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) | 0.33 | 5.26 | -31.46 | 2 | 5 | 0 | 75 | 287.724 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.33 | 4.28 | -42.45 | 1 | 5 | -1 | 71 | 286.716 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.