In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 17 | Yes |
Popular Name: 2-[2-[(5-chloro-2-thienyl)methylamino]ethyl]pyridazin-3-one 2-[2-[(5-chloro-2-thienyl)methyl…
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) | 2.02 | 5.41 | -46.87 | 2 | 4 | 1 | 52 | 270.765 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 4.06 | -10.49 | 1 | 4 | 0 | 47 | 269.757 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.