In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 7th, 2011 | 18 | No |
Popular Name: 6-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]-3-sulfanyl-1,2,4-triazin-5-ol 6-[(1Z,3Z)-4-phenylbuta-1,3-dien…
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) | 2.72 | 5.29 | -32.65 | 1 | 4 | -1 | 65 | 256.31 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 6.39 | -8.16 | 2 | 4 | 0 | 62 | 257.318 | 3 | ↓ |