| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: (3R)-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(3S)-1-isopropylpyrroli…
| 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) | 1.09 | 3.13 | -41.73 | 2 | 4 | 1 | 51 | 275.438 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 1.84 | -57.51 | 2 | 4 | 1 | 54 | 275.438 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 4.26 | -121.43 | 3 | 4 | 2 | 55 | 276.446 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
