In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 28 | No |
3',6'-Dihydroxy-6-isothiocyanato-spiro[isobenzofuran-1(3H)-9'-[9H]xanthen]-3-one
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-6-isothiocyanato-
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) | 5.26 | 7.53 | -56.64 | 1 | 6 | -1 | 103 | 388.38 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.26 | 8.34 | -101.1 | 0 | 6 | -2 | 106 | 387.372 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.