In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 20 | No |
Popular Name: N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-1,1-dioxo-thian-4-amine N-[(4-methoxy-3,5-dimethyl-2-pyr…
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) | 1.32 | 2.37 | -58.23 | 2 | 5 | 1 | 73 | 299.416 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 1.18 | -14.02 | 1 | 5 | 0 | 68 | 298.408 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.