In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 19 | No |
Popular Name: (2R)-2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(ethylamino)propanoic (2R)-2-cyclopropyl-3-(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) | -2.04 | 2.13 | -41.97 | 2 | 6 | 0 | 94 | 290.385 | 6 | ↓ |
Hi High (pH 8-9.5) | -2.04 | 3.17 | -47.16 | 1 | 6 | -1 | 90 | 289.377 | 6 | ↓ |
Lo Low (pH 4.5-6) | -2.04 | 3.91 | -86.53 | 3 | 6 | 1 | 95 | 291.393 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.