In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: (3R)-3-[[(1R)-1-[(3R)-1-propyl-3-piperidyl]ethyl]amino]azepan-2-one (3R)-3-[[(1R)-1-[(3R)-1-propyl-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) | 2.11 | 6.91 | -103.7 | 4 | 4 | 2 | 50 | 283.46 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.11 | 6.76 | -41.82 | 3 | 4 | 1 | 46 | 282.452 | 5 | ↓ |