In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2011 | 22 | No |
Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-(2-methoxyethyl)-1,4-diazepane-1-carboxamide N-[[(3R)-1,1-dioxothiolan-3-yl]m…
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) | 0.59 | 3.09 | -58.84 | 2 | 7 | 1 | 80 | 334.462 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.59 | 1.15 | -19.96 | 1 | 7 | 0 | 79 | 333.454 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.