In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 32 | Yes |
Popular Name: (1S)-3-(3-ethoxybenzoyl)-N-[(1S)-1-(4-pyridyl)ethyl]-3,8-diazaspiro[4.5]decane-1-carboxamide (1S)-3-(3-ethoxybenzoyl)-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) | 1.23 | 7.01 | -61.13 | 3 | 7 | 1 | 88 | 437.564 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.23 | 7.47 | -109.45 | 4 | 7 | 2 | 89 | 438.572 | 6 | ↓ |