| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | No |
Popular Name: (2R)-N1-[(3R)-1,1-dioxothiolan-3-yl]-N1-methyl-2-phenyl-propane-1,2-diamine (2R)-N1-[(3R)-1,1-dioxothiolan-3…
| 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) | 1.30 | 1.31 | -55.36 | 3 | 4 | 1 | 65 | 283.417 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 1.25 | -11.3 | 2 | 4 | 0 | 63 | 282.409 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 3.85 | -52.93 | 3 | 4 | 1 | 65 | 283.417 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 3.34 | -145.34 | 4 | 4 | 2 | 66 | 284.425 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
