In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 19 | Yes |
Popular Name: 1-(azepan-1-yl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]ethanone 1-(azepan-1-yl)-2-[[(1R,8R)-2,3,…
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) | 1.40 | 7.75 | -110.24 | 3 | 4 | 2 | 41 | 267.417 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 6.8 | -37.66 | 2 | 4 | 1 | 37 | 266.409 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 4.33 | -6.74 | 1 | 4 | 0 | 36 | 265.401 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 5.27 | -41.67 | 2 | 4 | 1 | 40 | 266.409 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.