In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 16 | No |
Popular Name: (1R,2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]cyclopentanecarbonitrile (1R,2R)-2-[[(3S)-1,1-dioxothiola…
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) | 1.05 | 3.04 | -70.68 | 2 | 4 | 1 | 75 | 243.352 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.05 | 1.91 | -17.2 | 1 | 4 | 0 | 70 | 242.344 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.