In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 18 | Yes |
Popular Name: N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine N-(5,6-dihydro-4H-cyclopenta[b]t…
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 | 5.99 | -7.76 | 1 | 3 | 0 | 38 | 259.378 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.85 | 7.35 | -45.62 | 2 | 3 | 1 | 42 | 260.386 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.