In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 18 | Yes |
Popular Name: 2-[[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(3-methoxyphenyl)-4H-1,2,4…
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) | 1.70 | 5.72 | -43.33 | 1 | 6 | -1 | 91 | 264.286 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 4.66 | -106.4 | 0 | 6 | -2 | 89 | 263.278 | 5 | ↓ |