In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 20 | No |
Popular Name: (3S)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-1,1-dioxo-thian-3-amine (3S)-N-[[5-(difluoromethylsulfan…
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) | 1.84 | 4.24 | -60.05 | 2 | 4 | 1 | 64 | 326.41 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.84 | 3.05 | -15.66 | 1 | 4 | 0 | 59 | 325.402 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.