In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 30 | Yes |
Popular Name: (4S)-2-(2-fluorobenzoyl)-N-[(1S)-1-(4-pyridyl)ethyl]-2,8-diazaspiro[4.5]decane-4-carboxamide (4S)-2-(2-fluorobenzoyl)-N-[(1S)…
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) | 0.93 | 7.01 | -58.3 | 3 | 6 | 1 | 79 | 411.501 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.93 | 7.46 | -108.62 | 4 | 6 | 2 | 80 | 412.509 | 4 | ↓ |