In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 18 | Yes |
Popular Name: N-(3-pyridylmethyl)-5,6-dihydro-4H-cyclopenta[d]thiophene-2-carboxamide N-(3-pyridylmethyl)-5,6-dihydro-…
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) | 1.85 | 5.83 | -9.5 | 1 | 3 | 0 | 42 | 258.346 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.85 | 6.28 | -43.18 | 2 | 3 | 1 | 43 | 259.354 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.