In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 22 | No |
Popular Name: 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3-benzotriazine-4-thione 3-(1,4-dioxa-8-azaspiro[4.5]deca…
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) | 1.55 | 6.88 | -33.97 | 1 | 6 | 1 | 54 | 319.41 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.55 | 4.6 | -11.79 | 0 | 6 | 0 | 52 | 318.402 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.