In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 26 | Yes |
Popular Name: (3S)-3-(benzofuran-2-yl)-5-[2-(3-methoxyphenoxy)ethylsulfanyl]-3H-1,2,4-triazole (3S)-3-(benzofuran-2-yl)-5-[2-(3…
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) | 4.59 | 8.8 | -14.11 | 1 | 6 | 0 | 73 | 367.43 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.59 | 8.6 | -49.68 | 0 | 6 | -1 | 71 | 366.422 | 7 | ↓ |