In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2011 | 18 | Yes |
Popular Name: (3S)-9-methyl-3-(3-methyl-2-thienyl)-4-oxa-1-azaspiro[5.5]undecane (3S)-9-methyl-3-(3-methyl-2-thie…
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) | 3.55 | 6.89 | -40.69 | 2 | 2 | 1 | 26 | 266.43 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.55 | 5.69 | -3.25 | 1 | 2 | 0 | 21 | 265.422 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.