In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 19 | Yes |
Popular Name: 1-(azepan-1-yl)-2-[[(1R)-1-cyclohexylethyl]amino]ethanone 1-(azepan-1-yl)-2-[[(1R)-1-cyclo…
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) | 3.48 | 8.61 | -39.52 | 2 | 3 | 1 | 37 | 267.437 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 7.63 | -6.49 | 1 | 3 | 0 | 32 | 266.429 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.