In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: (4S)-1,1-dioxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-(3-pyrrolidin-1…
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) | 0.87 | 6.19 | -136.82 | 3 | 4 | 2 | 55 | 310.463 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.87 | 2.58 | -12.51 | 1 | 4 | 0 | 49 | 308.447 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 5.04 | -45.76 | 2 | 4 | 1 | 51 | 309.455 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 3.74 | -62.39 | 2 | 4 | 1 | 54 | 309.455 | 5 | ↓ |