In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2006 | 26 | Yes |
Popular Name: N-[4-[2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]methanesulfonamide N-[4-[2-[[5-(2-furyl)-4-methyl-1…
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) | 2.02 | -2.35 | -18.78 | 1 | 8 | 0 | 107 | 392.462 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.02 | -1.77 | -43.03 | 0 | 8 | -1 | 109 | 391.454 | 7 | ↓ |