| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 19 | No |
Popular Name: (2S)-N1-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-2-phenyl-propane-1,2-diamine (2S)-N1-[(3R)-3-methyl-1,1-dioxo…
| 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) | 1.50 | 1.2 | -53.68 | 4 | 4 | 1 | 74 | 283.417 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | 0.91 | -11.31 | 3 | 4 | 0 | 72 | 282.409 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | 2.08 | -57.63 | 4 | 4 | 1 | 77 | 283.417 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | 2.32 | -151.06 | 5 | 4 | 2 | 78 | 284.425 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
