In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 29 | No |
Popular Name: 2-[2-[[5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]-3-methoxy-benzaldehyde 2-[2-[[5-(3-isopropoxyphenyl)-4H…
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) | 4.43 | 9.78 | -12.35 | 1 | 7 | 0 | 86 | 413.499 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.43 | 9.58 | -48.99 | 0 | 7 | -1 | 85 | 412.491 | 10 | ↓ |