In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2011 | 19 | Yes |
Popular Name: 3-[(3S)-4-oxa-1-azaspiro[5.5]undecan-3-yl]benzonitrile 3-[(3S)-4-oxa-1-azaspiro[5.5]und…
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) | 3.23 | 7.49 | -43.62 | 2 | 3 | 1 | 50 | 257.357 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.23 | 6.67 | -4.78 | 1 | 3 | 0 | 45 | 256.349 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.