In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 21 | No |
Popular Name: (1R)-N'-[(3R)-1,1-dioxothiolan-3-yl]-N,N-diethyl-1-phenyl-ethane-1,2-diamine (1R)-N'-[(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) | 1.98 | 2.6 | -11.44 | 1 | 4 | 0 | 49 | 310.463 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.98 | 3.82 | -56.86 | 2 | 4 | 1 | 54 | 311.471 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.98 | 5.95 | -149.16 | 3 | 4 | 2 | 55 | 312.479 | 7 | ↓ |