In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 18 | Yes |
Popular Name: N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(2-methylimidazol-1-yl)ethanamine 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) | 1.82 | 9.26 | -103.65 | 3 | 3 | 2 | 36 | 263.41 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.82 | 7.43 | -7.87 | 1 | 3 | 0 | 30 | 261.394 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.82 | 7.9 | -30.01 | 2 | 3 | 1 | 31 | 262.402 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.82 | 8.79 | -53.74 | 2 | 3 | 1 | 34 | 262.402 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.