In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 20 | No |
Popular Name: (3S)-N-[2-(4-nitrophenyl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[2-(4-nitrophenyl)ethyl]-…
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) | 1.65 | 5.17 | -75.15 | 2 | 6 | 1 | 97 | 299.372 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.65 | 3.99 | -17.46 | 1 | 6 | 0 | 92 | 298.364 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.