| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: (3S)-N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]-1,1-dioxo-thian-3-amine (3S)-N-[(2S)-2-methyl-3-pyrrolid…
| 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) | 1.07 | 4.62 | -121.69 | 3 | 4 | 2 | 55 | 276.446 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 3.57 | -44.09 | 2 | 4 | 1 | 51 | 275.438 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 2.44 | -55.25 | 2 | 4 | 1 | 54 | 275.438 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
