In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | No |
Popular Name: (4S)-6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]thiochroman-4-amine (4S)-6-chloro-N-[(3R)-1,1-dioxot…
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) | 1.47 | 4.26 | -62.55 | 2 | 3 | 1 | 51 | 318.871 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 3.79 | -12.75 | 1 | 3 | 0 | 46 | 317.863 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.