In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 20 | Yes |
Popular Name: N-[4-[[[(1R)-1-cyclopentylethyl]amino]methyl]thiazol-2-yl]-N-ethyl-acetamide N-[4-[[[(1R)-1-cyclopentylethyl]…
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) | 2.74 | 8.13 | -39.48 | 2 | 4 | 1 | 50 | 296.46 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.74 | 6.88 | -15.21 | 1 | 4 | 0 | 45 | 295.452 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.