In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 24 | Yes |
Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(5-ethoxy-2-furyl)methanone (3,7-dimethyl-3,7,11-triazaspiro…
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) | 1.84 | 6.46 | -37.54 | 1 | 6 | 1 | 50 | 336.456 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.84 | 6.58 | -45.07 | 1 | 6 | 1 | 50 | 336.456 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.84 | 8.84 | -107.3 | 2 | 6 | 2 | 52 | 337.464 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.